2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]acetic acid

C16H15N3O2 — CID 20887718

IUPAC2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]acetic acid
SMILESCCc1nc2cccnc2n1-c1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H15N3O2/c1-2-14-18-13-4-3-9-17-16(13)19(14)12-7-5-11(6-8-12)10-15(20)21/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyFEHXIYADHBCODF-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.61
Rot. Bonds4

About 2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]acetic acid

2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]acetic acid (PubChem CID 20887718) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]acetic acid
PubChem CID20887718
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]acetic acid
SMILESCCc1nc2cccnc2n1-c1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H15N3O2/c1-2-14-18-13-4-3-9-17-16(13)19(14)12-7-5-11(6-8-12)10-15(20)21/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyFEHXIYADHBCODF-UHFFFAOYSA-N
XLogP2.61
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]acetic acid?
The IUPAC name of 2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]acetic acid (CID 20887718) is 2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]acetic acid is CCc1nc2cccnc2n1-c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]acetic acid?
The InChIKey is FEHXIYADHBCODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-14-18-13-4-3-9-17-16(13)19(14)12-7-5-11(6-8-12)10-15(20)21/h3-9H,2,10H2,1H3,(H,20,21).
What are the key properties of 2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]acetic acid?
2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]acetic acid is sourced from PubChem (CID 20887718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).