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

C13H10BrFN4O — CID 107637413

IUPAC3-(2-bromo-5-fluorophenyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc2nc(N)n(-c3cc(F)ccc3Br)c2n1
InChIInChI=1S/C13H10BrFN4O/c1-20-11-5-4-9-12(18-11)19(13(16)17-9)10-6-7(15)2-3-8(10)14/h2-6H,1H3,(H2,16,17)
InChIKeyHGQFGNSIGJTJNA-UHFFFAOYSA-N
MW337.15 g/mol
LogP2.91
Rot. Bonds2

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

3-(2-bromo-5-fluorophenyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine (PubChem CID 107637413) has the molecular formula C13H10BrFN4O and a molecular weight of 337.15 g/mol. Its IUPAC name is 3-(2-bromo-5-fluorophenyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(2-bromo-5-fluorophenyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
PubChem CID107637413
Molecular FormulaC13H10BrFN4O
Molecular Weight337.15 g/mol
Exact Mass336.00
IUPAC Name3-(2-bromo-5-fluorophenyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc2nc(N)n(-c3cc(F)ccc3Br)c2n1
InChIInChI=1S/C13H10BrFN4O/c1-20-11-5-4-9-12(18-11)19(13(16)17-9)10-6-7(15)2-3-8(10)14/h2-6H,1H3,(H2,16,17)
InChIKeyHGQFGNSIGJTJNA-UHFFFAOYSA-N
XLogP2.91
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.15
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-3-(2,3,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine
CID 115322381
3-(5-chloro-2-methoxyphenyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322136
1-(2-bromo-5-methylphenyl)-5-fluorobenzimidazol-2-amine
CID 82766861
3-(2-ethoxyphenyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322193
3-(2,5-dibromophenyl)-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81138625
3-(2-bromo-5-methylphenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 82746394
5-methoxy-3-(2-propylphenyl)imidazo[4,5-b]pyridin-2-amine
CID 115322301
6-bromo-3-(2-bromo-5-methoxyphenyl)imidazo[4,5-b]pyridin-2-amine
CID 79302159
5-bromo-1-(2,5-difluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66087851
1-(3,5-dimethoxyphenyl)-6-fluorobenzimidazol-2-amine
CID 62376839
1-(4-bromo-3-methylphenyl)-6-fluorobenzimidazol-2-amine
CID 62377352
3-(5-chloro-2-fluorophenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115322726

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-fluorophenyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(2-bromo-5-fluorophenyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine (CID 107637413) is 3-(2-bromo-5-fluorophenyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(2-bromo-5-fluorophenyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(2-bromo-5-fluorophenyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine is COc1ccc2nc(N)n(-c3cc(F)ccc3Br)c2n1.
What is the InChIKey of 3-(2-bromo-5-fluorophenyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine?
The InChIKey is HGQFGNSIGJTJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN4O/c1-20-11-5-4-9-12(18-11)19(13(16)17-9)10-6-7(15)2-3-8(10)14/h2-6H,1H3,(H2,16,17).
What are the key properties of 3-(2-bromo-5-fluorophenyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine?
3-(2-bromo-5-fluorophenyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine has a molecular weight of 337.15 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-fluorophenyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 107637413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).