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

C13H9ClF2N2O2 — CID 68598483

IUPAC4-amino-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid
SMILESCc1c(F)ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1F
InChIInChI=1S/C13H9ClF2N2O2/c1-5-7(15)3-2-6(11(5)16)9-4-8(17)10(14)12(18-9)13(19)20/h2-4H,1H3,(H2,17,18)(H,19,20)
InChIKeyKRBNQUIRPZQSSF-UHFFFAOYSA-N
MW298.68 g/mol
LogP3.27
Rot. Bonds2

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

4-amino-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid (PubChem CID 68598483) has the molecular formula C13H9ClF2N2O2 and a molecular weight of 298.68 g/mol. Its IUPAC name is 4-amino-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid
PubChem CID68598483
Molecular FormulaC13H9ClF2N2O2
Molecular Weight298.68 g/mol
Exact Mass298.03
IUPAC Name4-amino-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid
SMILESCc1c(F)ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1F
InChIInChI=1S/C13H9ClF2N2O2/c1-5-7(15)3-2-6(11(5)16)9-4-8(17)10(14)12(18-9)13(19)20/h2-4H,1H3,(H2,17,18)(H,19,20)
InChIKeyKRBNQUIRPZQSSF-UHFFFAOYSA-N
XLogP3.27
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.68
LogP ≤ 53.27
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-difluoro-3-methylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid (CID 68598483) is 4-amino-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid is Cc1c(F)ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1F.
What is the InChIKey of 4-amino-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid?
The InChIKey is KRBNQUIRPZQSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O2/c1-5-7(15)3-2-6(11(5)16)9-4-8(17)10(14)12(18-9)13(19)20/h2-4H,1H3,(H2,17,18)(H,19,20).
What are the key properties of 4-amino-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid?
4-amino-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid has a molecular weight of 298.68 g/mol, XLogP of 3.27, 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-difluoro-3-methylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 68598483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).