2-[6-chloro-2-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]acetic acid

C14H9ClFN3O2 — CID 93209838

IUPAC2-[6-chloro-2-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]acetic acid
SMILESO=C(O)Cn1c(-c2cccc(F)c2)nc2cc(Cl)cnc21
InChIInChI=1S/C14H9ClFN3O2/c15-9-5-11-14(17-6-9)19(7-12(20)21)13(18-11)8-2-1-3-10(16)4-8/h1-6H,7H2,(H,20,21)
InChIKeyKNEOYSCNILJSKG-UHFFFAOYSA-N
MW305.70 g/mol
LogP2.98
Rot. Bonds3

About 2-[6-chloro-2-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]acetic acid

2-[6-chloro-2-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]acetic acid (PubChem CID 93209838) has the molecular formula C14H9ClFN3O2 and a molecular weight of 305.70 g/mol. Its IUPAC name is 2-[6-chloro-2-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-2-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]acetic acid
PubChem CID93209838
Molecular FormulaC14H9ClFN3O2
Molecular Weight305.70 g/mol
Exact Mass305.04
IUPAC Name2-[6-chloro-2-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]acetic acid
SMILESO=C(O)Cn1c(-c2cccc(F)c2)nc2cc(Cl)cnc21
InChIInChI=1S/C14H9ClFN3O2/c15-9-5-11-14(17-6-9)19(7-12(20)21)13(18-11)8-2-1-3-10(16)4-8/h1-6H,7H2,(H,20,21)
InChIKeyKNEOYSCNILJSKG-UHFFFAOYSA-N
XLogP2.98
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.70
LogP ≤ 52.98
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-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[6-chloro-2-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]acetic acid (CID 93209838) is 2-[6-chloro-2-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-chloro-2-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[6-chloro-2-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]acetic acid is O=C(O)Cn1c(-c2cccc(F)c2)nc2cc(Cl)cnc21.
What is the InChIKey of 2-[6-chloro-2-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]acetic acid?
The InChIKey is KNEOYSCNILJSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O2/c15-9-5-11-14(17-6-9)19(7-12(20)21)13(18-11)8-2-1-3-10(16)4-8/h1-6H,7H2,(H,20,21).
What are the key properties of 2-[6-chloro-2-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]acetic acid?
2-[6-chloro-2-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]acetic acid has a molecular weight of 305.70 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]acetic acid is sourced from PubChem (CID 93209838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).