2-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carbonitrile

C16H11F3N4O2 — CID 170743507

IUPAC2-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carbonitrile
SMILESCOc1nc2nc(-c3ccc(C(F)(F)F)cc3O)n(C)c2cc1C#N
InChIInChI=1S/C16H11F3N4O2/c1-23-11-5-8(7-20)15(25-2)22-13(11)21-14(23)10-4-3-9(6-12(10)24)16(17,18)19/h3-6,24H,1-2H3
InChIKeyOTVZTOGSPQOEBX-UHFFFAOYSA-N
MW348.28 g/mol
LogP3.24
Rot. Bonds2

About 2-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carbonitrile

2-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carbonitrile (PubChem CID 170743507) has the molecular formula C16H11F3N4O2 and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carbonitrile
PubChem CID170743507
Molecular FormulaC16H11F3N4O2
Molecular Weight348.28 g/mol
Exact Mass348.08
IUPAC Name2-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carbonitrile
SMILESCOc1nc2nc(-c3ccc(C(F)(F)F)cc3O)n(C)c2cc1C#N
InChIInChI=1S/C16H11F3N4O2/c1-23-11-5-8(7-20)15(25-2)22-13(11)21-14(23)10-4-3-9(6-12(10)24)16(17,18)19/h3-6,24H,1-2H3
InChIKeyOTVZTOGSPQOEBX-UHFFFAOYSA-N
XLogP3.24
TPSA83.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-bromo-5-chloro-1-methylimidazo[4,5-b]pyridin-2-yl)-5-(trifluoromethyl)phenol
CID 170743583
1-[2-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]ethanone
CID 170743574
2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol
CID 146557266
2-methoxy-4-(trifluoromethyl)benzonitrile
CID 19001376
2-[(4-tert-butylphenyl)methylsulfanyl]-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]benzonitrile
CID 163275992
methyl 2-cyano-5-(trifluoromethyl)benzoate
CID 134648235
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol
CID 146186096
2-(2-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)phenol
CID 172907025
2-[1-(3-hydroxy-3-methylcyclobutyl)oxypyrrolo[1,2-d][1,2,4]triazin-4-yl]-5-(trifluoromethyl)phenol
CID 170685546
2-[6-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[4,5-d][1,3]thiazol-5-yl]-5-(trifluoromethyl)phenol
CID 172554987
4-hydroxy-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 131743309
ethyl 2-cyano-5-(trifluoromethyl)benzoate
CID 134643261

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carbonitrile?
The IUPAC name of 2-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carbonitrile (CID 170743507) is 2-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carbonitrile.
What is the SMILES notation for 2-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carbonitrile?
The canonical SMILES for 2-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carbonitrile is COc1nc2nc(-c3ccc(C(F)(F)F)cc3O)n(C)c2cc1C#N.
What is the InChIKey of 2-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carbonitrile?
The InChIKey is OTVZTOGSPQOEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O2/c1-23-11-5-8(7-20)15(25-2)22-13(11)21-14(23)10-4-3-9(6-12(10)24)16(17,18)19/h3-6,24H,1-2H3.
What are the key properties of 2-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carbonitrile?
2-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 348.28 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carbonitrile is sourced from PubChem (CID 170743507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).