3-tert-butyl-2-chloro-6-ethoxypyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-2,6-dichloropyridine;5-tert-butyl-2-ethoxy-3-methylpyridine;5-tert-butyl-2-ethoxy-4-methylpyridine;5-tert-butyl-2-ethoxypyrimidine;5-tert-butyl-2-ethoxy-3-(trifluoromethyl)pyridine;3-tert-butyl-2-fluoro-6-methoxypyridine;5-tert-butyl-3-fluoro-2-methoxypyridine;3-tert-butyl-2-fluoro-6-(trifluoromethyl)pyridine;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidin-2-amine

C151H217Cl4F9N18O9 — CID 159164510

IUPAC3-tert-butyl-2-chloro-6-ethoxypyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-2,6-dichloropyridine;5-tert-butyl-2-ethoxy-3-methylpyridine;5-tert-butyl-2-ethoxy-4-methylpyridine;5-tert-butyl-2-ethoxypyrimidine;5-tert-butyl-2-ethoxy-3-(trifluoromethyl)pyridine;3-tert-butyl-2-fluoro-6-methoxypyridine;5-tert-butyl-3-fluoro-2-methoxypyridine;3-tert-butyl-2-fluoro-6-(trifluoromethyl)pyridine;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidin-2-amine
SMILESCC(C)(C)c1ccc(C(F)(F)F)nc1F.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(Cl)nc1Cl.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnc(N)nc1.CCOc1cc(C)c(C(C)(C)C)cn1.CCOc1ccc(C(C)(C)C)c(Cl)n1.CCOc1ncc(C(C)(C)C)cc1C.CCOc1ncc(C(C)(C)C)cc1C(F)(F)F.CCOc1ncc(C(C)(C)C)cn1.COc1cc(C(C)(C)C)ccn1.COc1ccc(C(C)(C)C)c(F)n1.COc1ccc(C(C)(C)C)cn1.COc1ncc(C(C)(C)C)cc1F
InChIInChI=1S/C12H16F3NO.2C12H19NO.C11H16ClNO.C10H11F4N.2C10H14FNO.C10H16N2O.2C10H15NO.C9H11Cl2N.C9H12ClN.2C9H13N.C8H13N3/c1-5-17-10-9(12(13,14)15)6-8(7-16-10)11(2,3)4;1-6-14-11-7-9(2)10(8-13-11)12(3,4)5;1-6-14-11-9(2)7-10(8-13-11)12(3,4)5;1-5-14-9-7-6-8(10(12)13-9)11(2,3)4;1-9(2,3)6-4-5-7(10(12,13)14)15-8(6)11;1-10(2,3)7-5-8(11)9(13-4)12-6-7;1-10(2,3)7-5-6-8(13-4)12-9(7)11;1-5-13-9-11-6-8(7-12-9)10(2,3)4;1-10(2,3)8-5-6-11-9(7-8)12-4;1-10(2,3)8-5-6-9(12-4)11-7-8;1-9(2,3)6-4-5-7(10)12-8(6)11;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)6-4-10-7(9)11-5-6/h6-7H,5H2,1-4H3;2*7-8H,6H2,1-5H3;6-7H,5H2,1-4H3;4-5H,1-3H3;2*5-6H,1-4H3;6-7H,5H2,1-4H3;2*5-7H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-5H,1-3H3,(H2,9,10,11)
InChIKeyKKXCKJDMXYAMHT-UHFFFAOYSA-N
MW2741.31 g/mol
LogP41.77
Rot. Bonds14

About 3-tert-butyl-2-chloro-6-ethoxypyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-2,6-dichloropyridine;5-tert-butyl-2-ethoxy-3-methylpyridine;5-tert-butyl-2-ethoxy-4-methylpyridine;5-tert-butyl-2-ethoxypyrimidine;5-tert-butyl-2-ethoxy-3-(trifluoromethyl)pyridine;3-tert-butyl-2-fluoro-6-methoxypyridine;5-tert-butyl-3-fluoro-2-methoxypyridine;3-tert-butyl-2-fluoro-6-(trifluoromethyl)pyridine;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidin-2-amine

3-tert-butyl-2-chloro-6-ethoxypyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-2,6-dichloropyridine;5-tert-butyl-2-ethoxy-3-methylpyridine;5-tert-butyl-2-ethoxy-4-methylpyridine;5-tert-butyl-2-ethoxypyrimidine;5-tert-butyl-2-ethoxy-3-(trifluoromethyl)pyridine;3-tert-butyl-2-fluoro-6-methoxypyridine;5-tert-butyl-3-fluoro-2-methoxypyridine;3-tert-butyl-2-fluoro-6-(trifluoromethyl)pyridine;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidin-2-amine (PubChem CID 159164510) has the molecular formula C151H217Cl4F9N18O9 and a molecular weight of 2741.31 g/mol. Its IUPAC name is 3-tert-butyl-2-chloro-6-ethoxypyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-2,6-dichloropyridine;5-tert-butyl-2-ethoxy-3-methylpyridine;5-tert-butyl-2-ethoxy-4-methylpyridine;5-tert-butyl-2-ethoxypyrimidine;5-tert-butyl-2-ethoxy-3-(trifluoromethyl)pyridine;3-tert-butyl-2-fluoro-6-methoxypyridine;5-tert-butyl-3-fluoro-2-methoxypyridine;3-tert-butyl-2-fluoro-6-(trifluoromethyl)pyridine;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidin-2-amine.

Molecular Properties

Compound Name3-tert-butyl-2-chloro-6-ethoxypyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-2,6-dichloropyridine;5-tert-butyl-2-ethoxy-3-methylpyridine;5-tert-butyl-2-ethoxy-4-methylpyridine;5-tert-butyl-2-ethoxypyrimidine;5-tert-butyl-2-ethoxy-3-(trifluoromethyl)pyridine;3-tert-butyl-2-fluoro-6-methoxypyridine;5-tert-butyl-3-fluoro-2-methoxypyridine;3-tert-butyl-2-fluoro-6-(trifluoromethyl)pyridine;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidin-2-amine
PubChem CID159164510
Molecular FormulaC151H217Cl4F9N18O9
Molecular Weight2741.31 g/mol
Exact Mass2737.57
IUPAC Name3-tert-butyl-2-chloro-6-ethoxypyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-2,6-dichloropyridine;5-tert-butyl-2-ethoxy-3-methylpyridine;5-tert-butyl-2-ethoxy-4-methylpyridine;5-tert-butyl-2-ethoxypyrimidine;5-tert-butyl-2-ethoxy-3-(trifluoromethyl)pyridine;3-tert-butyl-2-fluoro-6-methoxypyridine;5-tert-butyl-3-fluoro-2-methoxypyridine;3-tert-butyl-2-fluoro-6-(trifluoromethyl)pyridine;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidin-2-amine
SMILESCC(C)(C)c1ccc(C(F)(F)F)nc1F.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(Cl)nc1Cl.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnc(N)nc1.CCOc1cc(C)c(C(C)(C)C)cn1.CCOc1ccc(C(C)(C)C)c(Cl)n1.CCOc1ncc(C(C)(C)C)cc1C.CCOc1ncc(C(C)(C)C)cc1C(F)(F)F.CCOc1ncc(C(C)(C)C)cn1.COc1cc(C(C)(C)C)ccn1.COc1ccc(C(C)(C)C)c(F)n1.COc1ccc(C(C)(C)C)cn1.COc1ncc(C(C)(C)C)cc1F
InChIInChI=1S/C12H16F3NO.2C12H19NO.C11H16ClNO.C10H11F4N.2C10H14FNO.C10H16N2O.2C10H15NO.C9H11Cl2N.C9H12ClN.2C9H13N.C8H13N3/c1-5-17-10-9(12(13,14)15)6-8(7-16-10)11(2,3)4;1-6-14-11-7-9(2)10(8-13-11)12(3,4)5;1-6-14-11-9(2)7-10(8-13-11)12(3,4)5;1-5-14-9-7-6-8(10(12)13-9)11(2,3)4;1-9(2,3)6-4-5-7(10(12,13)14)15-8(6)11;1-10(2,3)7-5-8(11)9(13-4)12-6-7;1-10(2,3)7-5-6-8(13-4)12-9(7)11;1-5-13-9-11-6-8(7-12-9)10(2,3)4;1-10(2,3)8-5-6-11-9(7-8)12-4;1-10(2,3)8-5-6-9(12-4)11-7-8;1-9(2,3)6-4-5-7(10)12-8(6)11;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)6-4-10-7(9)11-5-6/h6-7H,5H2,1-4H3;2*7-8H,6H2,1-5H3;6-7H,5H2,1-4H3;4-5H,1-3H3;2*5-6H,1-4H3;6-7H,5H2,1-4H3;2*5-7H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-5H,1-3H3,(H2,9,10,11)
InChIKeyKKXCKJDMXYAMHT-UHFFFAOYSA-N
XLogP41.77
TPSA328.22 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds14
Heavy Atoms191
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002741.31
LogP ≤ 541.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-tert-butyl-2-chloro-6-ethoxypyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-2,6-dichloropyridine;5-tert-butyl-2-ethoxy-3-methylpyridine;5-tert-butyl-2-ethoxy-4-methylpyridine;5-tert-butyl-2-ethoxypyrimidine;5-tert-butyl-2-ethoxy-3-(trifluoromethyl)pyridine;3-tert-butyl-2-fluoro-6-methoxypyridine;5-tert-butyl-3-fluoro-2-methoxypyridine;3-tert-butyl-2-fluoro-6-(trifluoromethyl)pyridine;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidin-2-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-chloro-6-ethoxypyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-2,6-dichloropyridine;5-tert-butyl-2-ethoxy-3-methylpyridine;5-tert-butyl-2-ethoxy-4-methylpyridine;5-tert-butyl-2-ethoxypyrimidine;5-tert-butyl-2-ethoxy-3-(trifluoromethyl)pyridine;3-tert-butyl-2-fluoro-6-methoxypyridine;5-tert-butyl-3-fluoro-2-methoxypyridine;3-tert-butyl-2-fluoro-6-(trifluoromethyl)pyridine;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidin-2-amine?
The IUPAC name of 3-tert-butyl-2-chloro-6-ethoxypyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-2,6-dichloropyridine;5-tert-butyl-2-ethoxy-3-methylpyridine;5-tert-butyl-2-ethoxy-4-methylpyridine;5-tert-butyl-2-ethoxypyrimidine;5-tert-butyl-2-ethoxy-3-(trifluoromethyl)pyridine;3-tert-butyl-2-fluoro-6-methoxypyridine;5-tert-butyl-3-fluoro-2-methoxypyridine;3-tert-butyl-2-fluoro-6-(trifluoromethyl)pyridine;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidin-2-amine (CID 159164510) is 3-tert-butyl-2-chloro-6-ethoxypyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-2,6-dichloropyridine;5-tert-butyl-2-ethoxy-3-methylpyridine;5-tert-butyl-2-ethoxy-4-methylpyridine;5-tert-butyl-2-ethoxypyrimidine;5-tert-butyl-2-ethoxy-3-(trifluoromethyl)pyridine;3-tert-butyl-2-fluoro-6-methoxypyridine;5-tert-butyl-3-fluoro-2-methoxypyridine;3-tert-butyl-2-fluoro-6-(trifluoromethyl)pyridine;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidin-2-amine.
What is the SMILES notation for 3-tert-butyl-2-chloro-6-ethoxypyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-2,6-dichloropyridine;5-tert-butyl-2-ethoxy-3-methylpyridine;5-tert-butyl-2-ethoxy-4-methylpyridine;5-tert-butyl-2-ethoxypyrimidine;5-tert-butyl-2-ethoxy-3-(trifluoromethyl)pyridine;3-tert-butyl-2-fluoro-6-methoxypyridine;5-tert-butyl-3-fluoro-2-methoxypyridine;3-tert-butyl-2-fluoro-6-(trifluoromethyl)pyridine;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidin-2-amine?
The canonical SMILES for 3-tert-butyl-2-chloro-6-ethoxypyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-2,6-dichloropyridine;5-tert-butyl-2-ethoxy-3-methylpyridine;5-tert-butyl-2-ethoxy-4-methylpyridine;5-tert-butyl-2-ethoxypyrimidine;5-tert-butyl-2-ethoxy-3-(trifluoromethyl)pyridine;3-tert-butyl-2-fluoro-6-methoxypyridine;5-tert-butyl-3-fluoro-2-methoxypyridine;3-tert-butyl-2-fluoro-6-(trifluoromethyl)pyridine;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidin-2-amine is CC(C)(C)c1ccc(C(F)(F)F)nc1F.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(Cl)nc1Cl.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnc(N)nc1.CCOc1cc(C)c(C(C)(C)C)cn1.CCOc1ccc(C(C)(C)C)c(Cl)n1.CCOc1ncc(C(C)(C)C)cc1C.CCOc1ncc(C(C)(C)C)cc1C(F)(F)F.CCOc1ncc(C(C)(C)C)cn1.COc1cc(C(C)(C)C)ccn1.COc1ccc(C(C)(C)C)c(F)n1.COc1ccc(C(C)(C)C)cn1.COc1ncc(C(C)(C)C)cc1F.
What is the InChIKey of 3-tert-butyl-2-chloro-6-ethoxypyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-2,6-dichloropyridine;5-tert-butyl-2-ethoxy-3-methylpyridine;5-tert-butyl-2-ethoxy-4-methylpyridine;5-tert-butyl-2-ethoxypyrimidine;5-tert-butyl-2-ethoxy-3-(trifluoromethyl)pyridine;3-tert-butyl-2-fluoro-6-methoxypyridine;5-tert-butyl-3-fluoro-2-methoxypyridine;3-tert-butyl-2-fluoro-6-(trifluoromethyl)pyridine;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidin-2-amine?
The InChIKey is KKXCKJDMXYAMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO.2C12H19NO.C11H16ClNO.C10H11F4N.2C10H14FNO.C10H16N2O.2C10H15NO.C9H11Cl2N.C9H12ClN.2C9H13N.C8H13N3/c1-5-17-10-9(12(13,14)15)6-8(7-16-10)11(2,3)4;1-6-14-11-7-9(2)10(8-13-11)12(3,4)5;1-6-14-11-9(2)7-10(8-13-11)12(3,4)5;1-5-14-9-7-6-8(10(12)13-9)11(2,3)4;1-9(2,3)6-4-5-7(10(12,13)14)15-8(6)11;1-10(2,3)7-5-8(11)9(13-4)12-6-7;1-10(2,3)7-5-6-8(13-4)12-9(7)11;1-5-13-9-11-6-8(7-12-9)10(2,3)4;1-10(2,3)8-5-6-11-9(7-8)12-4;1-10(2,3)8-5-6-9(12-4)11-7-8;1-9(2,3)6-4-5-7(10)12-8(6)11;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)6-4-10-7(9)11-5-6/h6-7H,5H2,1-4H3;2*7-8H,6H2,1-5H3;6-7H,5H2,1-4H3;4-5H,1-3H3;2*5-6H,1-4H3;6-7H,5H2,1-4H3;2*5-7H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-5H,1-3H3,(H2,9,10,11).
What are the key properties of 3-tert-butyl-2-chloro-6-ethoxypyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-2,6-dichloropyridine;5-tert-butyl-2-ethoxy-3-methylpyridine;5-tert-butyl-2-ethoxy-4-methylpyridine;5-tert-butyl-2-ethoxypyrimidine;5-tert-butyl-2-ethoxy-3-(trifluoromethyl)pyridine;3-tert-butyl-2-fluoro-6-methoxypyridine;5-tert-butyl-3-fluoro-2-methoxypyridine;3-tert-butyl-2-fluoro-6-(trifluoromethyl)pyridine;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidin-2-amine?
3-tert-butyl-2-chloro-6-ethoxypyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-2,6-dichloropyridine;5-tert-butyl-2-ethoxy-3-methylpyridine;5-tert-butyl-2-ethoxy-4-methylpyridine;5-tert-butyl-2-ethoxypyrimidine;5-tert-butyl-2-ethoxy-3-(trifluoromethyl)pyridine;3-tert-butyl-2-fluoro-6-methoxypyridine;5-tert-butyl-3-fluoro-2-methoxypyridine;3-tert-butyl-2-fluoro-6-(trifluoromethyl)pyridine;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidin-2-amine has a molecular weight of 2741.31 g/mol, XLogP of 41.77, 14 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-chloro-6-ethoxypyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-2,6-dichloropyridine;5-tert-butyl-2-ethoxy-3-methylpyridine;5-tert-butyl-2-ethoxy-4-methylpyridine;5-tert-butyl-2-ethoxypyrimidine;5-tert-butyl-2-ethoxy-3-(trifluoromethyl)pyridine;3-tert-butyl-2-fluoro-6-methoxypyridine;5-tert-butyl-3-fluoro-2-methoxypyridine;3-tert-butyl-2-fluoro-6-(trifluoromethyl)pyridine;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidin-2-amine is sourced from PubChem (CID 159164510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).