6-chloro-2-(5-fluoro-2-methylanilino)pyridine-3-carboxylic acid

C13H10ClFN2O2 — CID 63537975

IUPAC6-chloro-2-(5-fluoro-2-methylanilino)pyridine-3-carboxylic acid
SMILESCc1ccc(F)cc1Nc1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C13H10ClFN2O2/c1-7-2-3-8(15)6-10(7)16-12-9(13(18)19)4-5-11(14)17-12/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyPJUYYSCVTAAGEX-UHFFFAOYSA-N
MW280.69 g/mol
LogP3.62
Rot. Bonds3

About 6-chloro-2-(5-fluoro-2-methylanilino)pyridine-3-carboxylic acid

6-chloro-2-(5-fluoro-2-methylanilino)pyridine-3-carboxylic acid (PubChem CID 63537975) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is 6-chloro-2-(5-fluoro-2-methylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(5-fluoro-2-methylanilino)pyridine-3-carboxylic acid
PubChem CID63537975
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC Name6-chloro-2-(5-fluoro-2-methylanilino)pyridine-3-carboxylic acid
SMILESCc1ccc(F)cc1Nc1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C13H10ClFN2O2/c1-7-2-3-8(15)6-10(7)16-12-9(13(18)19)4-5-11(14)17-12/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyPJUYYSCVTAAGEX-UHFFFAOYSA-N
XLogP3.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Niflumic Acid
CID 4488
Clonixin
CID 28718
Flunixin
CID 38081
Metanixin
CID 10466908
2-(4-Chloro-phenylamino)-nicotinic acid
CID 1432578
Lysine clonixinate
CID 3080836
6-(Phenylamino)nicotinic acid
CID 2771812
Diclonixin
CID 208833
2-((2,4-Dimethylphenyl)amino)pyridine-3-carboxylic acid
CID 1174126
2-[(3-Fluorophenyl)amino]pyridine-3-carboxylic acid
CID 1432603
2-Anilinonicotinic acid
CID 1481799
6-Amino-2-chloropyridine-3-carboxylic acid
CID 72210839

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(5-fluoro-2-methylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(5-fluoro-2-methylanilino)pyridine-3-carboxylic acid (CID 63537975) is 6-chloro-2-(5-fluoro-2-methylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(5-fluoro-2-methylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(5-fluoro-2-methylanilino)pyridine-3-carboxylic acid is Cc1ccc(F)cc1Nc1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 6-chloro-2-(5-fluoro-2-methylanilino)pyridine-3-carboxylic acid?
The InChIKey is PJUYYSCVTAAGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c1-7-2-3-8(15)6-10(7)16-12-9(13(18)19)4-5-11(14)17-12/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-chloro-2-(5-fluoro-2-methylanilino)pyridine-3-carboxylic acid?
6-chloro-2-(5-fluoro-2-methylanilino)pyridine-3-carboxylic acid has a molecular weight of 280.69 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(5-fluoro-2-methylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63537975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).