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

C12H14ClN3O2 — CID 82061729

IUPAC2-(6-chloro-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid
SMILESCCCc1nc2cc(Cl)cnc2n1C(C)C(=O)O
InChIInChI=1S/C12H14ClN3O2/c1-3-4-10-15-9-5-8(13)6-14-11(9)16(10)7(2)12(17)18/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyFSMJPAGKTZUJFC-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.68
Rot. Bonds4

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

2-(6-chloro-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid (PubChem CID 82061729) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-(6-chloro-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-chloro-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid
PubChem CID82061729
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name2-(6-chloro-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid
SMILESCCCc1nc2cc(Cl)cnc2n1C(C)C(=O)O
InChIInChI=1S/C12H14ClN3O2/c1-3-4-10-15-9-5-8(13)6-14-11(9)16(10)7(2)12(17)18/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyFSMJPAGKTZUJFC-UHFFFAOYSA-N
XLogP2.68
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
The IUPAC name of 2-(6-chloro-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid (CID 82061729) is 2-(6-chloro-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 2-(6-chloro-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
The canonical SMILES for 2-(6-chloro-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid is CCCc1nc2cc(Cl)cnc2n1C(C)C(=O)O.
What is the InChIKey of 2-(6-chloro-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
The InChIKey is FSMJPAGKTZUJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-3-4-10-15-9-5-8(13)6-14-11(9)16(10)7(2)12(17)18/h5-7H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 2-(6-chloro-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
2-(6-chloro-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid has a molecular weight of 267.72 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 82061729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).