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

C12H7ClF2N2O2 — CID 22677335

IUPAC4-amino-3-chloro-6-(2,4-difluorophenyl)pyridine-2-carboxylic acid
SMILESNc1cc(-c2ccc(F)cc2F)nc(C(=O)O)c1Cl
InChIInChI=1S/C12H7ClF2N2O2/c13-10-8(16)4-9(17-11(10)12(18)19)6-2-1-5(14)3-7(6)15/h1-4H,(H2,16,17)(H,18,19)
InChIKeyJIEVAZYFWFWYTG-UHFFFAOYSA-N
MW284.65 g/mol
LogP2.96
Rot. Bonds2

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

4-amino-3-chloro-6-(2,4-difluorophenyl)pyridine-2-carboxylic acid (PubChem CID 22677335) has the molecular formula C12H7ClF2N2O2 and a molecular weight of 284.65 g/mol. Its IUPAC name is 4-amino-3-chloro-6-(2,4-difluorophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-6-(2,4-difluorophenyl)pyridine-2-carboxylic acid
PubChem CID22677335
Molecular FormulaC12H7ClF2N2O2
Molecular Weight284.65 g/mol
Exact Mass284.02
IUPAC Name4-amino-3-chloro-6-(2,4-difluorophenyl)pyridine-2-carboxylic acid
SMILESNc1cc(-c2ccc(F)cc2F)nc(C(=O)O)c1Cl
InChIInChI=1S/C12H7ClF2N2O2/c13-10-8(16)4-9(17-11(10)12(18)19)6-2-1-5(14)3-7(6)15/h1-4H,(H2,16,17)(H,18,19)
InChIKeyJIEVAZYFWFWYTG-UHFFFAOYSA-N
XLogP2.96
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.65
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-(2,4-difluorophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-6-(2,4-difluorophenyl)pyridine-2-carboxylic acid (CID 22677335) is 4-amino-3-chloro-6-(2,4-difluorophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-6-(2,4-difluorophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-6-(2,4-difluorophenyl)pyridine-2-carboxylic acid is Nc1cc(-c2ccc(F)cc2F)nc(C(=O)O)c1Cl.
What is the InChIKey of 4-amino-3-chloro-6-(2,4-difluorophenyl)pyridine-2-carboxylic acid?
The InChIKey is JIEVAZYFWFWYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N2O2/c13-10-8(16)4-9(17-11(10)12(18)19)6-2-1-5(14)3-7(6)15/h1-4H,(H2,16,17)(H,18,19).
What are the key properties of 4-amino-3-chloro-6-(2,4-difluorophenyl)pyridine-2-carboxylic acid?
4-amino-3-chloro-6-(2,4-difluorophenyl)pyridine-2-carboxylic acid has a molecular weight of 284.65 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-6-(2,4-difluorophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 22677335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).