2-tert-butyl-3-chloropyridine;2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;3-tert-butyl-1H-indene;3-tert-butyl-7-methyl-1H-indole;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine

C325H455Cl8F9N40 — CID 158057511

IUPAC2-tert-butyl-3-chloropyridine;2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;3-tert-butyl-1H-indene;3-tert-butyl-7-methyl-1H-indole;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine
SMILESCC(C)(C)C1=CCc2ccccc21.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1ccc(F)nc1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1Cl.CC(C)(C)c1cccnc1F.CC(C)(C)c1cccnn1.CC(C)(C)c1ccnc(Cl)c1.CC(C)(C)c1ccnc(F)c1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1Cl.CC(C)(C)c1ccncc1F.CC(C)(C)c1ccnnc1.CC(C)(C)c1cnc(F)nc1.CC(C)(C)c1cncc(Cl)c1.CC(C)(C)c1cncc(F)c1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncccc1Cl.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1cccc2c(C(C)(C)C)c[nH]c12.Cc1cccnc1C(C)(C)C.Cc1cncc(C(C)(C)C)c1.Cc1cnccc1C(C)(C)C.Cc1ncccc1C(C)(C)C
InChIInChI=1S/C13H17N.C13H16.8C10H15N.8C9H12ClN.8C9H12FN.3C9H13N.C8H11FN2.5C8H12N2/c1-9-6-5-7-10-11(13(2,3)4)8-14-12(9)10;1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-8-5-9(7-11-6-8)10(2,3)4;1-8-7-11-6-5-9(8)10(2,3)4;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;1-8-6-5-7-11-9(8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)7-5-4-6-11-8(7)10;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)7-5-4-6-11-8(7)10;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-10-7(9)11-5-6;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7/h5-8,14H,1-4H3;4-7,9H,8H2,1-3H3;8*5-7H,1-4H3;16*4-6H,1-3H3;3*4-7H,1-3H3;4-5H,1-3H3;5*4-6H,1-3H3
InChIKeyFKFVCCGHKXABKO-UHFFFAOYSA-N
MW5377.10 g/mol
LogP91.27
Rot. Bonds

About 2-tert-butyl-3-chloropyridine;2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;3-tert-butyl-1H-indene;3-tert-butyl-7-methyl-1H-indole;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine

2-tert-butyl-3-chloropyridine;2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;3-tert-butyl-1H-indene;3-tert-butyl-7-methyl-1H-indole;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine (PubChem CID 158057511) has the molecular formula C325H455Cl8F9N40 and a molecular weight of 5377.10 g/mol. Its IUPAC name is 2-tert-butyl-3-chloropyridine;2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;3-tert-butyl-1H-indene;3-tert-butyl-7-methyl-1H-indole;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine.

Molecular Properties

Compound Name2-tert-butyl-3-chloropyridine;2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;3-tert-butyl-1H-indene;3-tert-butyl-7-methyl-1H-indole;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine
PubChem CID158057511
Molecular FormulaC325H455Cl8F9N40
Molecular Weight5377.10 g/mol
Exact Mass5369.42
IUPAC Name2-tert-butyl-3-chloropyridine;2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;3-tert-butyl-1H-indene;3-tert-butyl-7-methyl-1H-indole;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine
SMILESCC(C)(C)C1=CCc2ccccc21.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1ccc(F)nc1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1Cl.CC(C)(C)c1cccnc1F.CC(C)(C)c1cccnn1.CC(C)(C)c1ccnc(Cl)c1.CC(C)(C)c1ccnc(F)c1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1Cl.CC(C)(C)c1ccncc1F.CC(C)(C)c1ccnnc1.CC(C)(C)c1cnc(F)nc1.CC(C)(C)c1cncc(Cl)c1.CC(C)(C)c1cncc(F)c1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncccc1Cl.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1cccc2c(C(C)(C)C)c[nH]c12.Cc1cccnc1C(C)(C)C.Cc1cncc(C(C)(C)C)c1.Cc1cnccc1C(C)(C)C.Cc1ncccc1C(C)(C)C
InChIInChI=1S/C13H17N.C13H16.8C10H15N.8C9H12ClN.8C9H12FN.3C9H13N.C8H11FN2.5C8H12N2/c1-9-6-5-7-10-11(13(2,3)4)8-14-12(9)10;1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-8-5-9(7-11-6-8)10(2,3)4;1-8-7-11-6-5-9(8)10(2,3)4;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;1-8-6-5-7-11-9(8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)7-5-4-6-11-8(7)10;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)7-5-4-6-11-8(7)10;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-10-7(9)11-5-6;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7/h5-8,14H,1-4H3;4-7,9H,8H2,1-3H3;8*5-7H,1-4H3;16*4-6H,1-3H3;3*4-7H,1-3H3;4-5H,1-3H3;5*4-6H,1-3H3
InChIKeyFKFVCCGHKXABKO-UHFFFAOYSA-N
XLogP91.27
TPSA518.50 Ų
H-Bond Donors1
H-Bond Acceptors39
Rotatable Bonds
Heavy Atoms382
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005377.10
LogP ≤ 591.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1039

Analyze 2-tert-butyl-3-chloropyridine;2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;3-tert-butyl-1H-indene;3-tert-butyl-7-methyl-1H-indole;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-chloropyridine;2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;3-tert-butyl-1H-indene;3-tert-butyl-7-methyl-1H-indole;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine?
The IUPAC name of 2-tert-butyl-3-chloropyridine;2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;3-tert-butyl-1H-indene;3-tert-butyl-7-methyl-1H-indole;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine (CID 158057511) is 2-tert-butyl-3-chloropyridine;2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;3-tert-butyl-1H-indene;3-tert-butyl-7-methyl-1H-indole;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine.
What is the SMILES notation for 2-tert-butyl-3-chloropyridine;2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;3-tert-butyl-1H-indene;3-tert-butyl-7-methyl-1H-indole;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine?
The canonical SMILES for 2-tert-butyl-3-chloropyridine;2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;3-tert-butyl-1H-indene;3-tert-butyl-7-methyl-1H-indole;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine is CC(C)(C)C1=CCc2ccccc21.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1ccc(F)nc1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1Cl.CC(C)(C)c1cccnc1F.CC(C)(C)c1cccnn1.CC(C)(C)c1ccnc(Cl)c1.CC(C)(C)c1ccnc(F)c1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1Cl.CC(C)(C)c1ccncc1F.CC(C)(C)c1ccnnc1.CC(C)(C)c1cnc(F)nc1.CC(C)(C)c1cncc(Cl)c1.CC(C)(C)c1cncc(F)c1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncccc1Cl.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1cccc2c(C(C)(C)C)c[nH]c12.Cc1cccnc1C(C)(C)C.Cc1cncc(C(C)(C)C)c1.Cc1cnccc1C(C)(C)C.Cc1ncccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-chloropyridine;2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;3-tert-butyl-1H-indene;3-tert-butyl-7-methyl-1H-indole;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine?
The InChIKey is FKFVCCGHKXABKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.C13H16.8C10H15N.8C9H12ClN.8C9H12FN.3C9H13N.C8H11FN2.5C8H12N2/c1-9-6-5-7-10-11(13(2,3)4)8-14-12(9)10;1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-8-5-9(7-11-6-8)10(2,3)4;1-8-7-11-6-5-9(8)10(2,3)4;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;1-8-6-5-7-11-9(8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)7-5-4-6-11-8(7)10;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)7-5-4-6-11-8(7)10;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-10-7(9)11-5-6;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7/h5-8,14H,1-4H3;4-7,9H,8H2,1-3H3;8*5-7H,1-4H3;16*4-6H,1-3H3;3*4-7H,1-3H3;4-5H,1-3H3;5*4-6H,1-3H3.
What are the key properties of 2-tert-butyl-3-chloropyridine;2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;3-tert-butyl-1H-indene;3-tert-butyl-7-methyl-1H-indole;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine?
2-tert-butyl-3-chloropyridine;2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;3-tert-butyl-1H-indene;3-tert-butyl-7-methyl-1H-indole;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine has a molecular weight of 5377.10 g/mol, XLogP of 91.27, 0 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-chloropyridine;2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;3-tert-butyl-1H-indene;3-tert-butyl-7-methyl-1H-indole;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine is sourced from PubChem (CID 158057511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).