2-(chloromethyl)-6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile

C15H8ClF3N4 — CID 68520851

IUPAC2-(chloromethyl)-6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile
SMILESN#Cc1nc(-c2cccc(C(F)(F)F)c2)cc2[nH]c(CCl)nc12
InChIInChI=1S/C15H8ClF3N4/c16-6-13-22-11-5-10(21-12(7-20)14(11)23-13)8-2-1-3-9(4-8)15(17,18)19/h1-5H,6H2,(H,22,23)
InChIKeyUDVAEMBFSYHDNZ-UHFFFAOYSA-N
MW336.70 g/mol
LogP4.25
Rot. Bonds2

About 2-(chloromethyl)-6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile

2-(chloromethyl)-6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 68520851) has the molecular formula C15H8ClF3N4 and a molecular weight of 336.70 g/mol. Its IUPAC name is 2-(chloromethyl)-6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(chloromethyl)-6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile
PubChem CID68520851
Molecular FormulaC15H8ClF3N4
Molecular Weight336.70 g/mol
Exact Mass336.04
IUPAC Name2-(chloromethyl)-6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile
SMILESN#Cc1nc(-c2cccc(C(F)(F)F)c2)cc2[nH]c(CCl)nc12
InChIInChI=1S/C15H8ClF3N4/c16-6-13-22-11-5-10(21-12(7-20)14(11)23-13)8-2-1-3-9(4-8)15(17,18)19/h1-5H,6H2,(H,22,23)
InChIKeyUDVAEMBFSYHDNZ-UHFFFAOYSA-N
XLogP4.25
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.70
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(6-(phenylamino)-9H-purin-8-yl)benzonitrile
CID 46894038
2-Methyl-4-piperidino-6-[3-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-d]pyrimidine
CID 10668485
4-{5H-pyrrolo[2,3-b]pyrazin-6-yl}benzonitrile
CID 6538779
Diethyl-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-amine
CID 9903829
(2-Methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-phenyl-amine
CID 10590336
6-Phenyl-4-piperidin-1-yl-2-trifluoromethyl-5H-pyrrolo[3,2-d]pyrimidine
CID 10833804
6H-Pyrrolo(3,4-d)pyrimidine, 2,4,5-trimethyl-7-phenyl-
CID 100293
2-Methyl-4-piperidin-1-yl-6-(3-trifluoromethyl-benzyl)-5H-pyrrolo[3,2-d]pyrimidine
CID 10645275
6-(4-(ethylamino)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 49862016
2-(3-(trifluoromethyl)phenyl)-9H-purine-6-carbonitrile
CID 49862476
6-[[2-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]amino]pyridine-3-carbonitrile
CID 145964756
3-[[6-(2,2,2-trifluoroethylamino)-7H-purin-2-yl]amino]benzonitrile
CID 162642859

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 2-(chloromethyl)-6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile (CID 68520851) is 2-(chloromethyl)-6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile.
What is the SMILES notation for 2-(chloromethyl)-6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 2-(chloromethyl)-6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile is N#Cc1nc(-c2cccc(C(F)(F)F)c2)cc2[nH]c(CCl)nc12.
What is the InChIKey of 2-(chloromethyl)-6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is UDVAEMBFSYHDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N4/c16-6-13-22-11-5-10(21-12(7-20)14(11)23-13)8-2-1-3-9(4-8)15(17,18)19/h1-5H,6H2,(H,22,23).
What are the key properties of 2-(chloromethyl)-6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
2-(chloromethyl)-6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 336.70 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 68520851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).