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

C12H8ClF2N3O2 — CID 83087906

IUPAC5-amino-6-(2-chloro-4,6-difluoroanilino)pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C12H8ClF2N3O2/c13-7-2-6(14)3-8(15)10(7)18-11-9(16)1-5(4-17-11)12(19)20/h1-4H,16H2,(H,17,18)(H,19,20)
InChIKeyQHHBEIAUOFFSHJ-UHFFFAOYSA-N
MW299.66 g/mol
LogP3.04
Rot. Bonds3

About 5-amino-6-(2-chloro-4,6-difluoroanilino)pyridine-3-carboxylic acid

5-amino-6-(2-chloro-4,6-difluoroanilino)pyridine-3-carboxylic acid (PubChem CID 83087906) has the molecular formula C12H8ClF2N3O2 and a molecular weight of 299.66 g/mol. Its IUPAC name is 5-amino-6-(2-chloro-4,6-difluoroanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(2-chloro-4,6-difluoroanilino)pyridine-3-carboxylic acid
PubChem CID83087906
Molecular FormulaC12H8ClF2N3O2
Molecular Weight299.66 g/mol
Exact Mass299.03
IUPAC Name5-amino-6-(2-chloro-4,6-difluoroanilino)pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C12H8ClF2N3O2/c13-7-2-6(14)3-8(15)10(7)18-11-9(16)1-5(4-17-11)12(19)20/h1-4H,16H2,(H,17,18)(H,19,20)
InChIKeyQHHBEIAUOFFSHJ-UHFFFAOYSA-N
XLogP3.04
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.66
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-N-(2-chloro-4,6-difluorophenyl)pyridine-2,5-diamine
CID 114046291
5-amino-6-(2,5-difluoro-4-methylanilino)pyridine-3-carboxylic acid
CID 103587165
5-amino-6-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
CID 81439977
5-amino-6-(3-bromo-4-fluoroanilino)pyridine-3-carboxylic acid
CID 113452425
5-amino-6-(5-bromo-2-chloroanilino)pyridine-3-carboxylic acid
CID 81439419
3-N-(2-chloro-4,6-difluorophenyl)pyrazine-2,3-diamine
CID 102987080
3-amino-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 83081298
4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 83082644
3-bromo-5-chloro-N-(2-chloro-4,6-difluorophenyl)pyridin-2-amine
CID 114837355
5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid
CID 83077979
5-amino-6-(2-chloro-5-methoxyanilino)pyridine-3-carboxylic acid
CID 81440060
2-chloro-N-(2-chloro-4,6-difluorophenyl)-5-fluoropyrimidin-4-amine
CID 83087621

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-chloro-4,6-difluoroanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(2-chloro-4,6-difluoroanilino)pyridine-3-carboxylic acid (CID 83087906) is 5-amino-6-(2-chloro-4,6-difluoroanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(2-chloro-4,6-difluoroanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(2-chloro-4,6-difluoroanilino)pyridine-3-carboxylic acid is Nc1cc(C(=O)O)cnc1Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of 5-amino-6-(2-chloro-4,6-difluoroanilino)pyridine-3-carboxylic acid?
The InChIKey is QHHBEIAUOFFSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N3O2/c13-7-2-6(14)3-8(15)10(7)18-11-9(16)1-5(4-17-11)12(19)20/h1-4H,16H2,(H,17,18)(H,19,20).
What are the key properties of 5-amino-6-(2-chloro-4,6-difluoroanilino)pyridine-3-carboxylic acid?
5-amino-6-(2-chloro-4,6-difluoroanilino)pyridine-3-carboxylic acid has a molecular weight of 299.66 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-chloro-4,6-difluoroanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 83087906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).