3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid

C12H14BrN3O2 — CID 93210060

IUPAC3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid
SMILESCC(C)c1nc2cc(Br)cnc2n1CCC(=O)O
InChIInChI=1S/C12H14BrN3O2/c1-7(2)11-15-9-5-8(13)6-14-12(9)16(11)4-3-10(17)18/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyZXTQWXDPLPNGFC-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.79
Rot. Bonds4

About 3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid

3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid (PubChem CID 93210060) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid
PubChem CID93210060
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid
SMILESCC(C)c1nc2cc(Br)cnc2n1CCC(=O)O
InChIInChI=1S/C12H14BrN3O2/c1-7(2)11-15-9-5-8(13)6-14-12(9)16(11)4-3-10(17)18/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyZXTQWXDPLPNGFC-UHFFFAOYSA-N
XLogP2.79
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061806
3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide
CID 79302117
5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid
CID 94758220
3-[2-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-1,1-dimethylurea
CID 83112602
4-[6-bromo-2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]butanoic acid
CID 82070623
3-(6-bromotriazolo[4,5-b]pyridin-3-yl)propanoic acid
CID 83681307
2-[6-bromo-3-(2-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 102699336
2-[6-bromo-3-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79279515
4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine
CID 82061622
3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061501
6-bromo-2-(1-chloroethyl)-3-(2-pyridin-4-ylethyl)imidazo[4,5-b]pyridine
CID 79280609
6-bromo-2-(1-chloroethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine
CID 79301882

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
The IUPAC name of 3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid (CID 93210060) is 3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
The canonical SMILES for 3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid is CC(C)c1nc2cc(Br)cnc2n1CCC(=O)O.
What is the InChIKey of 3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
The InChIKey is ZXTQWXDPLPNGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-7(2)11-15-9-5-8(13)6-14-12(9)16(11)4-3-10(17)18/h5-7H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid has a molecular weight of 312.17 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 93210060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).