2-(4-chloro-3-fluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid

C14H9ClFN3O2 — CID 63538999

IUPAC2-(4-chloro-3-fluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(Nc2ccc(Cl)c(F)c2)nc2ccccn12
InChIInChI=1S/C14H9ClFN3O2/c15-9-5-4-8(7-10(9)16)17-13-12(14(20)21)19-6-2-1-3-11(19)18-13/h1-7,17H,(H,20,21)
InChIKeyFZZSJPZNLOWOAP-UHFFFAOYSA-N
MW305.70 g/mol
LogP3.57
Rot. Bonds3

About 2-(4-chloro-3-fluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid

2-(4-chloro-3-fluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 63538999) has the molecular formula C14H9ClFN3O2 and a molecular weight of 305.70 g/mol. Its IUPAC name is 2-(4-chloro-3-fluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-chloro-3-fluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID63538999
Molecular FormulaC14H9ClFN3O2
Molecular Weight305.70 g/mol
Exact Mass305.04
IUPAC Name2-(4-chloro-3-fluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(Nc2ccc(Cl)c(F)c2)nc2ccccn12
InChIInChI=1S/C14H9ClFN3O2/c15-9-5-4-8(7-10(9)16)17-13-12(14(20)21)19-6-2-1-3-11(19)18-13/h1-7,17H,(H,20,21)
InChIKeyFZZSJPZNLOWOAP-UHFFFAOYSA-N
XLogP3.57
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.70
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-chloro-3-fluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 63538999) is 2-(4-chloro-3-fluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-chloro-3-fluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-chloro-3-fluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)c1c(Nc2ccc(Cl)c(F)c2)nc2ccccn12.
What is the InChIKey of 2-(4-chloro-3-fluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is FZZSJPZNLOWOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O2/c15-9-5-4-8(7-10(9)16)17-13-12(14(20)21)19-6-2-1-3-11(19)18-13/h1-7,17H,(H,20,21).
What are the key properties of 2-(4-chloro-3-fluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid?
2-(4-chloro-3-fluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 305.70 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 63538999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).