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

C13H9BrFN3 — CID 113340205

IUPAC2-(3-bromo-4-fluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc2[nH]c(-c3ccc(F)c(Br)c3)nc2n1
InChIInChI=1S/C13H9BrFN3/c1-7-2-5-11-13(16-7)18-12(17-11)8-3-4-10(15)9(14)6-8/h2-6H,1H3,(H,16,17,18)
InChIKeyPVCNQHMGLVRVBH-UHFFFAOYSA-N
MW306.14 g/mol
LogP3.83
Rot. Bonds1

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

2-(3-bromo-4-fluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 113340205) has the molecular formula C13H9BrFN3 and a molecular weight of 306.14 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID113340205
Molecular FormulaC13H9BrFN3
Molecular Weight306.14 g/mol
Exact Mass305.00
IUPAC Name2-(3-bromo-4-fluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc2[nH]c(-c3ccc(F)c(Br)c3)nc2n1
InChIInChI=1S/C13H9BrFN3/c1-7-2-5-11-13(16-7)18-12(17-11)8-3-4-10(15)9(14)6-8/h2-6H,1H3,(H,16,17,18)
InChIKeyPVCNQHMGLVRVBH-UHFFFAOYSA-N
XLogP3.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-4-methylphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81137094
2-(3,5-dibromophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 107972981
2-(4-bromo-3-fluorophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820990
2-(4-chloro-3-methylphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 113360589
2-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81137449
4-fluoro-3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 81136710
2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole
CID 114020271
2-(3-iodophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81136738
2-methoxy-5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 81137784
2-(3,4-difluorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820975
2-(3,4-difluorophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820763
2-(3-bromo-4-fluorophenyl)-6-ethyl-1H-benzimidazole
CID 107954664

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine (CID 113340205) is 2-(3-bromo-4-fluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine is Cc1ccc2[nH]c(-c3ccc(F)c(Br)c3)nc2n1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is PVCNQHMGLVRVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3/c1-7-2-5-11-13(16-7)18-12(17-11)8-3-4-10(15)9(14)6-8/h2-6H,1H3,(H,16,17,18).
What are the key properties of 2-(3-bromo-4-fluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine?
2-(3-bromo-4-fluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 306.14 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 113340205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).