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

C14H13BrN4 — CID 79301195

IUPAC3-(3-bromo-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1cnc2c(c1)nc(N)n2-c1ccc(C)c(Br)c1
InChIInChI=1S/C14H13BrN4/c1-8-5-12-13(17-7-8)19(14(16)18-12)10-4-3-9(2)11(15)6-10/h3-7H,1-2H3,(H2,16,18)
InChIKeyFYBQJMFDHGAISL-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.38
Rot. Bonds1

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

3-(3-bromo-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 79301195) has the molecular formula C14H13BrN4 and a molecular weight of 317.19 g/mol. Its IUPAC name is 3-(3-bromo-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(3-bromo-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID79301195
Molecular FormulaC14H13BrN4
Molecular Weight317.19 g/mol
Exact Mass316.03
IUPAC Name3-(3-bromo-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1cnc2c(c1)nc(N)n2-c1ccc(C)c(Br)c1
InChIInChI=1S/C14H13BrN4/c1-8-5-12-13(17-7-8)19(14(16)18-12)10-4-3-9(2)11(15)6-10/h3-7H,1-2H3,(H2,16,18)
InChIKeyFYBQJMFDHGAISL-UHFFFAOYSA-N
XLogP3.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 104779962
3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79300966
3-(4-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301249
3-(2,5-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301322
4-(2-amino-6-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 79301752
1-(3-bromo-4-methylphenyl)-7-methylbenzimidazol-2-amine
CID 115552506
6-methyl-3-(4-propoxyphenyl)imidazo[4,5-b]pyridin-2-amine
CID 79277756
6-methyl-3-(2,3,5,6-tetrafluorophenyl)imidazo[4,5-b]pyridin-2-amine
CID 107645385
3-(2,5-dichloro-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 104727548
6-bromo-3-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 79279729
6-bromo-3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-amine
CID 79306193
6-bromo-3-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-amine
CID 79280401

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(3-bromo-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine (CID 79301195) is 3-(3-bromo-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(3-bromo-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(3-bromo-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine is Cc1cnc2c(c1)nc(N)n2-c1ccc(C)c(Br)c1.
What is the InChIKey of 3-(3-bromo-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is FYBQJMFDHGAISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4/c1-8-5-12-13(17-7-8)19(14(16)18-12)10-4-3-9(2)11(15)6-10/h3-7H,1-2H3,(H2,16,18).
What are the key properties of 3-(3-bromo-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine?
3-(3-bromo-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 317.19 g/mol, XLogP of 3.38, 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-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79301195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).