3-(3-bromo-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine

C13H10BrFN4 — CID 104779962

IUPAC3-(3-bromo-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1cnc2c(c1)nc(N)n2-c1ccc(F)c(Br)c1
InChIInChI=1S/C13H10BrFN4/c1-7-4-11-12(17-6-7)19(13(16)18-11)8-2-3-10(15)9(14)5-8/h2-6H,1H3,(H2,16,18)
InChIKeyDSZFHPIFGZGNJK-UHFFFAOYSA-N
MW321.15 g/mol
LogP3.21
Rot. Bonds1

About 3-(3-bromo-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine

3-(3-bromo-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 104779962) has the molecular formula C13H10BrFN4 and a molecular weight of 321.15 g/mol. Its IUPAC name is 3-(3-bromo-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(3-bromo-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID104779962
Molecular FormulaC13H10BrFN4
Molecular Weight321.15 g/mol
Exact Mass320.01
IUPAC Name3-(3-bromo-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1cnc2c(c1)nc(N)n2-c1ccc(F)c(Br)c1
InChIInChI=1S/C13H10BrFN4/c1-7-4-11-12(17-6-7)19(13(16)18-11)8-2-3-10(15)9(14)5-8/h2-6H,1H3,(H2,16,18)
InChIKeyDSZFHPIFGZGNJK-UHFFFAOYSA-N
XLogP3.21
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301195
3-(4-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301249
3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79300966
6-methyl-3-(2,3,5,6-tetrafluorophenyl)imidazo[4,5-b]pyridin-2-amine
CID 107645385
4-(2-amino-6-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 79301752
6-methyl-3-(4-propoxyphenyl)imidazo[4,5-b]pyridin-2-amine
CID 79277756
1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine
CID 104779956
3-(2,5-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301322
6-bromo-3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 104780070
2-(1-chloroethyl)-3-(3-chloro-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79278529
3-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-2-amine
CID 79289903
6-bromo-3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-amine
CID 79306193

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(3-bromo-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine (CID 104779962) is 3-(3-bromo-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(3-bromo-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(3-bromo-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine is Cc1cnc2c(c1)nc(N)n2-c1ccc(F)c(Br)c1.
What is the InChIKey of 3-(3-bromo-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is DSZFHPIFGZGNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN4/c1-7-4-11-12(17-6-7)19(13(16)18-11)8-2-3-10(15)9(14)5-8/h2-6H,1H3,(H2,16,18).
What are the key properties of 3-(3-bromo-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine?
3-(3-bromo-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 321.15 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 104779962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).