2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine

C13H8ClF3N4 — CID 66868091

IUPAC2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine
SMILESNc1cnc2nc(-c3ccc(Cl)c(C(F)(F)F)c3)[nH]c2c1
InChIInChI=1S/C13H8ClF3N4/c14-9-2-1-6(3-8(9)13(15,16)17)11-20-10-4-7(18)5-19-12(10)21-11/h1-5H,18H2,(H,19,20,21)
InChIKeyVRIXPRRCVNIAKL-UHFFFAOYSA-N
MW312.68 g/mol
LogP3.88
Rot. Bonds1

About 2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine

2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine (PubChem CID 66868091) has the molecular formula C13H8ClF3N4 and a molecular weight of 312.68 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine
PubChem CID66868091
Molecular FormulaC13H8ClF3N4
Molecular Weight312.68 g/mol
Exact Mass312.04
IUPAC Name2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine
SMILESNc1cnc2nc(-c3ccc(Cl)c(C(F)(F)F)c3)[nH]c2c1
InChIInChI=1S/C13H8ClF3N4/c14-9-2-1-6(3-8(9)13(15,16)17)11-20-10-4-7(18)5-19-12(10)21-11/h1-5H,18H2,(H,19,20,21)
InChIKeyVRIXPRRCVNIAKL-UHFFFAOYSA-N
XLogP3.88
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine (CID 66868091) is 2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine is Nc1cnc2nc(-c3ccc(Cl)c(C(F)(F)F)c3)[nH]c2c1.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine?
The InChIKey is VRIXPRRCVNIAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N4/c14-9-2-1-6(3-8(9)13(15,16)17)11-20-10-4-7(18)5-19-12(10)21-11/h1-5H,18H2,(H,19,20,21).
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine?
2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine has a molecular weight of 312.68 g/mol, XLogP of 3.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 66868091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).