3-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-2-amine

C12H8F2N4 — CID 79289903

IUPAC3-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cccnc2n1-c1ccc(F)c(F)c1
InChIInChI=1S/C12H8F2N4/c13-8-4-3-7(6-9(8)14)18-11-10(17-12(18)15)2-1-5-16-11/h1-6H,(H2,15,17)
InChIKeyKUPYPEDUZHSWFT-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.28
Rot. Bonds1

About 3-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-2-amine

3-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79289903) has the molecular formula C12H8F2N4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79289903
Molecular FormulaC12H8F2N4
Molecular Weight246.22 g/mol
Exact Mass246.07
IUPAC Name3-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cccnc2n1-c1ccc(F)c(F)c1
InChIInChI=1S/C12H8F2N4/c13-8-4-3-7(6-9(8)14)18-11-10(17-12(18)15)2-1-5-16-11/h1-6H,(H2,15,17)
InChIKeyKUPYPEDUZHSWFT-UHFFFAOYSA-N
XLogP2.28
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoimidazo[4,5-b]pyridin-3-yl)benzene-1,2-dicarbonitrile
CID 107791645
3-(1,3-benzothiazol-6-yl)imidazo[4,5-b]pyridin-2-amine
CID 107805988
3-thiophen-3-ylimidazo[4,5-b]pyridin-2-amine
CID 79289361
2-(chloromethyl)-3-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79290101
1-(3,4-difluorophenyl)-5-fluorobenzimidazol-2-amine
CID 43661787
3-(3-bromo-4-fluorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 104780032
1-(3,4-difluorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66100981
2-[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine
CID 82487047
3-(3-bromo-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 104779962
[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine
CID 82481510
3-(4-fluorophenyl)-2-methylimidazo[4,5-b]pyridine
CID 14119097
2-fluoro-5-imidazo[4,5-b]pyridin-3-ylaniline
CID 82512905

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-2-amine (CID 79289903) is 3-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-2-amine is Nc1nc2cccnc2n1-c1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is KUPYPEDUZHSWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N4/c13-8-4-3-7(6-9(8)14)18-11-10(17-12(18)15)2-1-5-16-11/h1-6H,(H2,15,17).
What are the key properties of 3-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-2-amine?
3-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 246.22 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79289903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).