2-chloro-4-propan-2-ylpyridine;bis(3-chloro-4-propan-2-ylpyridine);3-fluoro-4-propan-2-ylpyridine;1-isocyano-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine

C85H109Cl3F4N10 — CID 161319904

IUPAC2-chloro-4-propan-2-ylpyridine;bis(3-chloro-4-propan-2-ylpyridine);3-fluoro-4-propan-2-ylpyridine;1-isocyano-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(Cl)c1.CC(C)c1ccncc1.CC(C)c1ccncc1Cl.CC(C)c1ccncc1Cl.CC(C)c1ccncc1F.CC(C)c1ccncn1.Cc1ccc(C(C)C)cn1.Cc1ccccc1C(C)C.[C-]#[N+]c1ccccc1C(C)C
InChIInChI=1S/C10H11N.C10H14.C9H10F3N.C9H13N.3C8H10ClN.C8H10FN.C8H11N.C7H10N2/c1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-7(2)9-5-4-8(3)10-6-9;2*1-6(2)7-3-4-10-5-8(7)9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-10-5-8(7)9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-9-7/h4-8H,1-2H3;4-8H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;4*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3
InChIKeyVJZPWTZSRMAPQA-UHFFFAOYSA-N
MW1453.23 g/mol
LogP26.94
Rot. Bonds10

About 2-chloro-4-propan-2-ylpyridine;bis(3-chloro-4-propan-2-ylpyridine);3-fluoro-4-propan-2-ylpyridine;1-isocyano-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine

2-chloro-4-propan-2-ylpyridine;bis(3-chloro-4-propan-2-ylpyridine);3-fluoro-4-propan-2-ylpyridine;1-isocyano-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 161319904) has the molecular formula C85H109Cl3F4N10 and a molecular weight of 1453.23 g/mol. Its IUPAC name is 2-chloro-4-propan-2-ylpyridine;bis(3-chloro-4-propan-2-ylpyridine);3-fluoro-4-propan-2-ylpyridine;1-isocyano-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-propan-2-ylpyridine;bis(3-chloro-4-propan-2-ylpyridine);3-fluoro-4-propan-2-ylpyridine;1-isocyano-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine
PubChem CID161319904
Molecular FormulaC85H109Cl3F4N10
Molecular Weight1453.23 g/mol
Exact Mass1450.78
IUPAC Name2-chloro-4-propan-2-ylpyridine;bis(3-chloro-4-propan-2-ylpyridine);3-fluoro-4-propan-2-ylpyridine;1-isocyano-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(Cl)c1.CC(C)c1ccncc1.CC(C)c1ccncc1Cl.CC(C)c1ccncc1Cl.CC(C)c1ccncc1F.CC(C)c1ccncn1.Cc1ccc(C(C)C)cn1.Cc1ccccc1C(C)C.[C-]#[N+]c1ccccc1C(C)C
InChIInChI=1S/C10H11N.C10H14.C9H10F3N.C9H13N.3C8H10ClN.C8H10FN.C8H11N.C7H10N2/c1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-7(2)9-5-4-8(3)10-6-9;2*1-6(2)7-3-4-10-5-8(7)9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-10-5-8(7)9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-9-7/h4-8H,1-2H3;4-8H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;4*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3
InChIKeyVJZPWTZSRMAPQA-UHFFFAOYSA-N
XLogP26.94
TPSA120.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001453.23
LogP ≤ 526.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-chloro-4-propan-2-ylpyridine;bis(3-chloro-4-propan-2-ylpyridine);3-fluoro-4-propan-2-ylpyridine;1-isocyano-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

4-(2-Chloro-4-fluorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)pyrimidine
CID 118726575
4-Chloro-5-(4-fluorophenyl)-2,6-bis-(4-pyridyl)-pyrimidine
CID 23000487
2-Chloro-3-(2-chloro-6-fluorophenyl)-4-(4-methylpiperidinyl)-6-(pyrimidin-2-yl)pyridine
CID 24853493
4-(3-Chloro-4-fluorophenyl)-2-(2-ethylpiperidin-1-yl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761036
1-[4-(3-chloro-4-fluorophenyl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-2-yl]-N,N-diethylpiperidin-4-amine
CID 57761041
4-(3-Chloro-4-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761154
4-(3-Chloro-4-fluorophenyl)-2-(3-methylpyridin-2-yl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761182
4-(3-Chloro-4-fluoro-phenyl)-2-(1-propyl-piperidin-4-yl)-6-[4-(3-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-pyrimidine
CID 57761194
4-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-6-(3,4-difluorophenyl)-2-(2-methylpiperidin-1-yl)pyrimidine
CID 57761202
4-(3-Chloro-4-fluorophenyl)-2,6-bis[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761221
4-(3-chloro-4-fluorophenyl)-6-[(2R)-2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-piperidin-1-ylpyrimidine
CID 57761231
4-(3-Chloro-4-fluorophenyl)-2-pyridin-2-yl-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761316

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-propan-2-ylpyridine;bis(3-chloro-4-propan-2-ylpyridine);3-fluoro-4-propan-2-ylpyridine;1-isocyano-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-4-propan-2-ylpyridine;bis(3-chloro-4-propan-2-ylpyridine);3-fluoro-4-propan-2-ylpyridine;1-isocyano-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine (CID 161319904) is 2-chloro-4-propan-2-ylpyridine;bis(3-chloro-4-propan-2-ylpyridine);3-fluoro-4-propan-2-ylpyridine;1-isocyano-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-4-propan-2-ylpyridine;bis(3-chloro-4-propan-2-ylpyridine);3-fluoro-4-propan-2-ylpyridine;1-isocyano-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-4-propan-2-ylpyridine;bis(3-chloro-4-propan-2-ylpyridine);3-fluoro-4-propan-2-ylpyridine;1-isocyano-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine is CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(Cl)c1.CC(C)c1ccncc1.CC(C)c1ccncc1Cl.CC(C)c1ccncc1Cl.CC(C)c1ccncc1F.CC(C)c1ccncn1.Cc1ccc(C(C)C)cn1.Cc1ccccc1C(C)C.[C-]#[N+]c1ccccc1C(C)C.
What is the InChIKey of 2-chloro-4-propan-2-ylpyridine;bis(3-chloro-4-propan-2-ylpyridine);3-fluoro-4-propan-2-ylpyridine;1-isocyano-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine?
The InChIKey is VJZPWTZSRMAPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.C10H14.C9H10F3N.C9H13N.3C8H10ClN.C8H10FN.C8H11N.C7H10N2/c1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-7(2)9-5-4-8(3)10-6-9;2*1-6(2)7-3-4-10-5-8(7)9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-10-5-8(7)9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-9-7/h4-8H,1-2H3;4-8H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;4*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3.
What are the key properties of 2-chloro-4-propan-2-ylpyridine;bis(3-chloro-4-propan-2-ylpyridine);3-fluoro-4-propan-2-ylpyridine;1-isocyano-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine?
2-chloro-4-propan-2-ylpyridine;bis(3-chloro-4-propan-2-ylpyridine);3-fluoro-4-propan-2-ylpyridine;1-isocyano-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 1453.23 g/mol, XLogP of 26.94, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-propan-2-ylpyridine;bis(3-chloro-4-propan-2-ylpyridine);3-fluoro-4-propan-2-ylpyridine;1-isocyano-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 161319904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).