3-(3,5-difluorophenyl)-1-methyl-2H-imidazo[4,5-b]pyridine

C13H11F2N3 — CID 171052815

IUPAC3-(3,5-difluorophenyl)-1-methyl-2H-imidazo[4,5-b]pyridine
SMILESCN1CN(c2cc(F)cc(F)c2)c2ncccc21
InChIInChI=1S/C13H11F2N3/c1-17-8-18(13-12(17)3-2-4-16-13)11-6-9(14)5-10(15)7-11/h2-7H,8H2,1H3
InChIKeyFGAQTJRLELUVEV-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.91
Rot. Bonds1

About 3-(3,5-difluorophenyl)-1-methyl-2H-imidazo[4,5-b]pyridine

3-(3,5-difluorophenyl)-1-methyl-2H-imidazo[4,5-b]pyridine (PubChem CID 171052815) has the molecular formula C13H11F2N3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-1-methyl-2H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-1-methyl-2H-imidazo[4,5-b]pyridine
PubChem CID171052815
Molecular FormulaC13H11F2N3
Molecular Weight247.25 g/mol
Exact Mass247.09
IUPAC Name3-(3,5-difluorophenyl)-1-methyl-2H-imidazo[4,5-b]pyridine
SMILESCN1CN(c2cc(F)cc(F)c2)c2ncccc21
InChIInChI=1S/C13H11F2N3/c1-17-8-18(13-12(17)3-2-4-16-13)11-6-9(14)5-10(15)7-11/h2-7H,8H2,1H3
InChIKeyFGAQTJRLELUVEV-UHFFFAOYSA-N
XLogP2.91
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(4-fluorophenyl)-2H-imidazo[4,5-b]pyridine
CID 140596008
3-methyl-1-pyridin-3-yl-2H-imidazo[4,5-b]pyridine
CID 143141740
1-methyl-3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]-2H-imidazo[4,5-b]pyridine
CID 155609581
4-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)phenoxy]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 140593854
bis(1-(2,4-difluorophenyl)-3-methyl-2H-benzimidazole);iridium(3+);pyridine-2-carboxylate
CID 172687758
1-methyl-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]sulfanylphenyl]-2H-imidazo[4,5-b]pyrazine
CID 156666849
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridin-3-amine
CID 63778740
1,3-bis(1-benzofuran-5-yl)-2H-imidazo[4,5-b]pyridine
CID 140743680
1-(4-fluoro-3,5-dimethylphenyl)-2,3-dihydroimidazo[4,5-b]pyridine
CID 164884576
9-(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-6-yl)carbazole
CID 171052794
1-ethyl-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine
CID 127763309
1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium
CID 157121404

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-1-methyl-2H-imidazo[4,5-b]pyridine?
The IUPAC name of 3-(3,5-difluorophenyl)-1-methyl-2H-imidazo[4,5-b]pyridine (CID 171052815) is 3-(3,5-difluorophenyl)-1-methyl-2H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-1-methyl-2H-imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(3,5-difluorophenyl)-1-methyl-2H-imidazo[4,5-b]pyridine is CN1CN(c2cc(F)cc(F)c2)c2ncccc21.
What is the InChIKey of 3-(3,5-difluorophenyl)-1-methyl-2H-imidazo[4,5-b]pyridine?
The InChIKey is FGAQTJRLELUVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3/c1-17-8-18(13-12(17)3-2-4-16-13)11-6-9(14)5-10(15)7-11/h2-7H,8H2,1H3.
What are the key properties of 3-(3,5-difluorophenyl)-1-methyl-2H-imidazo[4,5-b]pyridine?
3-(3,5-difluorophenyl)-1-methyl-2H-imidazo[4,5-b]pyridine has a molecular weight of 247.25 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-1-methyl-2H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 171052815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).