3-[3-chloro-4-(trifluoromethoxy)phenyl]-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine

C15H8ClF6N3O — CID 153345637

IUPAC3-[3-chloro-4-(trifluoromethoxy)phenyl]-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCc1nc2ccc(C(F)(F)F)nc2n1-c1ccc(OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C15H8ClF6N3O/c1-7-23-10-3-5-12(14(17,18)19)24-13(10)25(7)8-2-4-11(9(16)6-8)26-15(20,21)22/h2-6H,1H3
InChIKeyJGECFBQKGQERFR-UHFFFAOYSA-N
MW395.69 g/mol
LogP5.30
Rot. Bonds2

About 3-[3-chloro-4-(trifluoromethoxy)phenyl]-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine

3-[3-chloro-4-(trifluoromethoxy)phenyl]-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 153345637) has the molecular formula C15H8ClF6N3O and a molecular weight of 395.69 g/mol. Its IUPAC name is 3-[3-chloro-4-(trifluoromethoxy)phenyl]-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[3-chloro-4-(trifluoromethoxy)phenyl]-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID153345637
Molecular FormulaC15H8ClF6N3O
Molecular Weight395.69 g/mol
Exact Mass395.03
IUPAC Name3-[3-chloro-4-(trifluoromethoxy)phenyl]-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCc1nc2ccc(C(F)(F)F)nc2n1-c1ccc(OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C15H8ClF6N3O/c1-7-23-10-3-5-12(14(17,18)19)24-13(10)25(7)8-2-4-11(9(16)6-8)26-15(20,21)22/h2-6H,1H3
InChIKeyJGECFBQKGQERFR-UHFFFAOYSA-N
XLogP5.30
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.69
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 130361608
9-[3-chloro-4-(trifluoromethoxy)phenyl]-8-methyl-N,N-dipropylpurin-2-amine
CID 174347851
3-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 153345504
3-[3-chloro-4-(trifluoromethoxy)phenyl]-2-ethynyl-5-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine
CID 171806459
6-[3,5-bis(trifluoromethyl)phenyl]-1-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazole;ethane
CID 171806446
1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-ethynyl-6-(4-methylpiperazin-1-yl)benzimidazole
CID 171806361
1-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 123919378
2,5-dimethyl-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]imidazo[4,5-b]pyridine
CID 162615527
2-[3-[4-(fluoromethyl)phenyl]-2-methylimidazo[4,5-b]pyridin-5-yl]propan-2-ol
CID 153346050
1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-ethynylbenzimidazole-5-carboxylic acid
CID 171806382
1-(3-chloro-4-methoxyphenyl)-2-methyl-6-phenylbenzimidazole
CID 171806435
[1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-fluoroimidazol-4-yl]methanol
CID 23001322

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-(trifluoromethoxy)phenyl]-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[3-chloro-4-(trifluoromethoxy)phenyl]-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 153345637) is 3-[3-chloro-4-(trifluoromethoxy)phenyl]-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[3-chloro-4-(trifluoromethoxy)phenyl]-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[3-chloro-4-(trifluoromethoxy)phenyl]-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine is Cc1nc2ccc(C(F)(F)F)nc2n1-c1ccc(OC(F)(F)F)c(Cl)c1.
What is the InChIKey of 3-[3-chloro-4-(trifluoromethoxy)phenyl]-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is JGECFBQKGQERFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF6N3O/c1-7-23-10-3-5-12(14(17,18)19)24-13(10)25(7)8-2-4-11(9(16)6-8)26-15(20,21)22/h2-6H,1H3.
What are the key properties of 3-[3-chloro-4-(trifluoromethoxy)phenyl]-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
3-[3-chloro-4-(trifluoromethoxy)phenyl]-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 395.69 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-(trifluoromethoxy)phenyl]-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 153345637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).