4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid

C12H8ClFN2O2 — CID 43438570

IUPAC4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Nc2cc(Cl)ccc2F)ccn1
InChIInChI=1S/C12H8ClFN2O2/c13-7-1-2-9(14)10(5-7)16-8-3-4-15-11(6-8)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyXBWIXAQSOBJBNH-UHFFFAOYSA-N
MW266.66 g/mol
LogP3.32
Rot. Bonds3

About 4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid

4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid (PubChem CID 43438570) has the molecular formula C12H8ClFN2O2 and a molecular weight of 266.66 g/mol. Its IUPAC name is 4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid
PubChem CID43438570
Molecular FormulaC12H8ClFN2O2
Molecular Weight266.66 g/mol
Exact Mass266.03
IUPAC Name4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Nc2cc(Cl)ccc2F)ccn1
InChIInChI=1S/C12H8ClFN2O2/c13-7-1-2-9(14)10(5-7)16-8-3-4-15-11(6-8)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyXBWIXAQSOBJBNH-UHFFFAOYSA-N
XLogP3.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.66
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid?
The IUPAC name of 4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid (CID 43438570) is 4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid is O=C(O)c1cc(Nc2cc(Cl)ccc2F)ccn1.
What is the InChIKey of 4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid?
The InChIKey is XBWIXAQSOBJBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O2/c13-7-1-2-9(14)10(5-7)16-8-3-4-15-11(6-8)12(17)18/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid?
4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid has a molecular weight of 266.66 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 43438570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).