1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylic acid

C14H8ClFN2O2 — CID 117251989

IUPAC1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(-c3ccc(F)cc3)nc(Cl)c2c1
InChIInChI=1S/C14H8ClFN2O2/c15-12-11-7-9(14(19)20)5-6-18(11)13(17-12)8-1-3-10(16)4-2-8/h1-7H,(H,19,20)
InChIKeyLNDDNLXSEVBQCD-UHFFFAOYSA-N
MW290.68 g/mol
LogP3.49
Rot. Bonds2

About 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylic acid

1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 117251989) has the molecular formula C14H8ClFN2O2 and a molecular weight of 290.68 g/mol. Its IUPAC name is 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID117251989
Molecular FormulaC14H8ClFN2O2
Molecular Weight290.68 g/mol
Exact Mass290.03
IUPAC Name1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(-c3ccc(F)cc3)nc(Cl)c2c1
InChIInChI=1S/C14H8ClFN2O2/c15-12-11-7-9(14(19)20)5-6-18(11)13(17-12)8-1-3-10(16)4-2-8/h1-7H,(H,19,20)
InChIKeyLNDDNLXSEVBQCD-UHFFFAOYSA-N
XLogP3.49
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylic acid (CID 117251989) is 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylic acid is O=C(O)c1ccn2c(-c3ccc(F)cc3)nc(Cl)c2c1.
What is the InChIKey of 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is LNDDNLXSEVBQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O2/c15-12-11-7-9(14(19)20)5-6-18(11)13(17-12)8-1-3-10(16)4-2-8/h1-7H,(H,19,20).
What are the key properties of 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylic acid?
1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 290.68 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117251989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).