5-amino-6-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid

C13H12FN3O2 — CID 81439977

IUPAC5-amino-6-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
SMILESCc1cc(Nc2ncc(C(=O)O)cc2N)ccc1F
InChIInChI=1S/C13H12FN3O2/c1-7-4-9(2-3-10(7)14)17-12-11(15)5-8(6-16-12)13(18)19/h2-6H,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyAGUWQWGYCWGLSW-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.55
Rot. Bonds3

About 5-amino-6-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid

5-amino-6-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid (PubChem CID 81439977) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 5-amino-6-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
PubChem CID81439977
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name5-amino-6-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
SMILESCc1cc(Nc2ncc(C(=O)O)cc2N)ccc1F
InChIInChI=1S/C13H12FN3O2/c1-7-4-9(2-3-10(7)14)17-12-11(15)5-8(6-16-12)13(18)19/h2-6H,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyAGUWQWGYCWGLSW-UHFFFAOYSA-N
XLogP2.55
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-(3-bromo-4-fluoroanilino)pyridine-3-carboxylic acid
CID 113452425
5-amino-6-(2,5-difluoro-4-methylanilino)pyridine-3-carboxylic acid
CID 103587165
4-(4-fluoro-3-methylanilino)pyrimidine-5-carboxylic acid
CID 115148840
5-amino-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxylic acid
CID 81440039
2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
CID 62812366
1-[2-amino-5-(4-fluoro-3-methylanilino)phenyl]ethanone
CID 104612747
2-amino-5-(4-fluoro-3-methylanilino)benzamide
CID 62814148
3-amino-4-(4-fluoro-3-methylanilino)benzamide
CID 55119022
5-amino-6-(2-chloro-4,6-difluoroanilino)pyridine-3-carboxylic acid
CID 83087906
4-N-(4-fluoro-3-methylphenyl)quinazoline-4,7-diamine
CID 65336890
6-amino-5-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-carboxamide
CID 62811763
5-bromo-2-N-(3,4-difluorophenyl)pyridine-2,3-diamine
CID 61228857

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid (CID 81439977) is 5-amino-6-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid is Cc1cc(Nc2ncc(C(=O)O)cc2N)ccc1F.
What is the InChIKey of 5-amino-6-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid?
The InChIKey is AGUWQWGYCWGLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-7-4-9(2-3-10(7)14)17-12-11(15)5-8(6-16-12)13(18)19/h2-6H,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-amino-6-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid?
5-amino-6-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid has a molecular weight of 261.26 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81439977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).