2-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanoic acid

C13H16ClN3O2 — CID 82061730

IUPAC2-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanoic acid
SMILESCCCCc1nc2cc(Cl)cnc2n1C(C)C(=O)O
InChIInChI=1S/C13H16ClN3O2/c1-3-4-5-11-16-10-6-9(14)7-15-12(10)17(11)8(2)13(18)19/h6-8H,3-5H2,1-2H3,(H,18,19)
InChIKeyPGQZTRHARVAMKN-UHFFFAOYSA-N
MW281.74 g/mol
LogP3.07
Rot. Bonds5

About 2-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanoic acid

2-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanoic acid (PubChem CID 82061730) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanoic acid
PubChem CID82061730
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name2-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanoic acid
SMILESCCCCc1nc2cc(Cl)cnc2n1C(C)C(=O)O
InChIInChI=1S/C13H16ClN3O2/c1-3-4-5-11-16-10-6-9(14)7-15-12(10)17(11)8(2)13(18)19/h6-8H,3-5H2,1-2H3,(H,18,19)
InChIKeyPGQZTRHARVAMKN-UHFFFAOYSA-N
XLogP3.07
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061729
2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride
CID 75530812
2-[6-methyl-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 82061452
2-(5,6-dichloro-2-propylbenzimidazol-1-yl)propanoic acid
CID 82145985
3-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanenitrile
CID 82143553
4-[(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)methyl]aniline
CID 94758162
4-[4-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-2-methylbutanoic acid
CID 90905708
2-butyl-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82475545
2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanamide
CID 79301792
6-chloro-3-methyl-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 84688903
2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide
CID 79300800
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145

Frequently Asked Questions

What is the IUPAC name of 2-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanoic acid?
The IUPAC name of 2-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanoic acid (CID 82061730) is 2-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 2-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanoic acid?
The canonical SMILES for 2-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanoic acid is CCCCc1nc2cc(Cl)cnc2n1C(C)C(=O)O.
What is the InChIKey of 2-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanoic acid?
The InChIKey is PGQZTRHARVAMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-3-4-5-11-16-10-6-9(14)7-15-12(10)17(11)8(2)13(18)19/h6-8H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanoic acid?
2-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanoic acid has a molecular weight of 281.74 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 82061730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).