6-amino-3-(3-chloro-4-fluorophenyl)pyridine-2-carboxylic acid

C12H8ClFN2O2 — CID 53229419

IUPAC6-amino-3-(3-chloro-4-fluorophenyl)pyridine-2-carboxylic acid
SMILESNc1ccc(-c2ccc(F)c(Cl)c2)c(C(=O)O)n1
InChIInChI=1S/C12H8ClFN2O2/c13-8-5-6(1-3-9(8)14)7-2-4-10(15)16-11(7)12(17)18/h1-5H,(H2,15,16)(H,17,18)
InChIKeyQLGZXMWHYFNFEZ-UHFFFAOYSA-N
MW266.66 g/mol
LogP2.82
Rot. Bonds2

About 6-amino-3-(3-chloro-4-fluorophenyl)pyridine-2-carboxylic acid

6-amino-3-(3-chloro-4-fluorophenyl)pyridine-2-carboxylic acid (PubChem CID 53229419) has the molecular formula C12H8ClFN2O2 and a molecular weight of 266.66 g/mol. Its IUPAC name is 6-amino-3-(3-chloro-4-fluorophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-3-(3-chloro-4-fluorophenyl)pyridine-2-carboxylic acid
PubChem CID53229419
Molecular FormulaC12H8ClFN2O2
Molecular Weight266.66 g/mol
Exact Mass266.03
IUPAC Name6-amino-3-(3-chloro-4-fluorophenyl)pyridine-2-carboxylic acid
SMILESNc1ccc(-c2ccc(F)c(Cl)c2)c(C(=O)O)n1
InChIInChI=1S/C12H8ClFN2O2/c13-8-5-6(1-3-9(8)14)7-2-4-10(15)16-11(7)12(17)18/h1-5H,(H2,15,16)(H,17,18)
InChIKeyQLGZXMWHYFNFEZ-UHFFFAOYSA-N
XLogP2.82
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.66
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(3-chloro-4-fluorophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-amino-3-(3-chloro-4-fluorophenyl)pyridine-2-carboxylic acid (CID 53229419) is 6-amino-3-(3-chloro-4-fluorophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-amino-3-(3-chloro-4-fluorophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-amino-3-(3-chloro-4-fluorophenyl)pyridine-2-carboxylic acid is Nc1ccc(-c2ccc(F)c(Cl)c2)c(C(=O)O)n1.
What is the InChIKey of 6-amino-3-(3-chloro-4-fluorophenyl)pyridine-2-carboxylic acid?
The InChIKey is QLGZXMWHYFNFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O2/c13-8-5-6(1-3-9(8)14)7-2-4-10(15)16-11(7)12(17)18/h1-5H,(H2,15,16)(H,17,18).
What are the key properties of 6-amino-3-(3-chloro-4-fluorophenyl)pyridine-2-carboxylic acid?
6-amino-3-(3-chloro-4-fluorophenyl)pyridine-2-carboxylic acid has a molecular weight of 266.66 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(3-chloro-4-fluorophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 53229419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).