5-amino-6-(2,5-difluoro-4-methylanilino)pyridine-3-carboxylic acid

C13H11F2N3O2 — CID 103587165

IUPAC5-amino-6-(2,5-difluoro-4-methylanilino)pyridine-3-carboxylic acid
SMILESCc1cc(F)c(Nc2ncc(C(=O)O)cc2N)cc1F
InChIInChI=1S/C13H11F2N3O2/c1-6-2-9(15)11(4-8(6)14)18-12-10(16)3-7(5-17-12)13(19)20/h2-5H,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyMIMIVHZDLYSRTH-UHFFFAOYSA-N
MW279.25 g/mol
LogP2.69
Rot. Bonds3

About 5-amino-6-(2,5-difluoro-4-methylanilino)pyridine-3-carboxylic acid

5-amino-6-(2,5-difluoro-4-methylanilino)pyridine-3-carboxylic acid (PubChem CID 103587165) has the molecular formula C13H11F2N3O2 and a molecular weight of 279.25 g/mol. Its IUPAC name is 5-amino-6-(2,5-difluoro-4-methylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(2,5-difluoro-4-methylanilino)pyridine-3-carboxylic acid
PubChem CID103587165
Molecular FormulaC13H11F2N3O2
Molecular Weight279.25 g/mol
Exact Mass279.08
IUPAC Name5-amino-6-(2,5-difluoro-4-methylanilino)pyridine-3-carboxylic acid
SMILESCc1cc(F)c(Nc2ncc(C(=O)O)cc2N)cc1F
InChIInChI=1S/C13H11F2N3O2/c1-6-2-9(15)11(4-8(6)14)18-12-10(16)3-7(5-17-12)13(19)20/h2-5H,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyMIMIVHZDLYSRTH-UHFFFAOYSA-N
XLogP2.69
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
CID 81439977
5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carboxamide
CID 103584436
5-amino-6-(3-bromo-4-fluoroanilino)pyridine-3-carboxylic acid
CID 113452425
5-amino-6-(2-chloro-4,6-difluoroanilino)pyridine-3-carboxylic acid
CID 83087906
5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carbonitrile
CID 103584541
5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid
CID 81440129
5-amino-6-(2,5-dimethoxyanilino)pyridine-3-carboxylic acid
CID 81447017
5-amino-6-(2-chloro-5-methoxyanilino)pyridine-3-carboxylic acid
CID 81440060
5-amino-6-(5-bromo-2-chloroanilino)pyridine-3-carboxylic acid
CID 81439419
5-amino-6-(quinolin-8-ylamino)pyridine-3-carboxylic acid
CID 81447920
5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine
CID 103587802
5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid
CID 107793033

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2,5-difluoro-4-methylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(2,5-difluoro-4-methylanilino)pyridine-3-carboxylic acid (CID 103587165) is 5-amino-6-(2,5-difluoro-4-methylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(2,5-difluoro-4-methylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(2,5-difluoro-4-methylanilino)pyridine-3-carboxylic acid is Cc1cc(F)c(Nc2ncc(C(=O)O)cc2N)cc1F.
What is the InChIKey of 5-amino-6-(2,5-difluoro-4-methylanilino)pyridine-3-carboxylic acid?
The InChIKey is MIMIVHZDLYSRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2/c1-6-2-9(15)11(4-8(6)14)18-12-10(16)3-7(5-17-12)13(19)20/h2-5H,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-amino-6-(2,5-difluoro-4-methylanilino)pyridine-3-carboxylic acid?
5-amino-6-(2,5-difluoro-4-methylanilino)pyridine-3-carboxylic acid has a molecular weight of 279.25 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2,5-difluoro-4-methylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 103587165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).