6-chloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid

C13H10ClFN2O2 — CID 164529757

IUPAC6-chloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
SMILESCc1cc(F)ccc1Nc1cc(Cl)ncc1C(=O)O
InChIInChI=1S/C13H10ClFN2O2/c1-7-4-8(15)2-3-10(7)17-11-5-12(14)16-6-9(11)13(18)19/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyXJMWKPRQMMMWMU-UHFFFAOYSA-N
MW280.69 g/mol
LogP3.62
Rot. Bonds3

About 6-chloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid

6-chloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid (PubChem CID 164529757) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is 6-chloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
PubChem CID164529757
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC Name6-chloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
SMILESCc1cc(F)ccc1Nc1cc(Cl)ncc1C(=O)O
InChIInChI=1S/C13H10ClFN2O2/c1-7-4-8(15)2-3-10(7)17-11-5-12(14)16-6-9(11)13(18)19/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyXJMWKPRQMMMWMU-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

5,6-dichloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 118412477
3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid
CID 105062559
5-chloro-4-(difluoromethyl)-2-(4-fluoro-2-methylanilino)benzoic acid
CID 155452781
2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 114917077
4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233035
5-chloro-2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 155452459
6-chloro-4-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 23502836
4-(4-fluoro-2-methylanilino)pyridine-2-carboxylic acid
CID 43326134
5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 64629676
3-amino-4-(4-fluoro-2-methylanilino)benzoic acid
CID 54888083
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide
CID 58155019
3,5-difluoro-4-(4-fluoro-2-methylanilino)benzoic acid
CID 63183976

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid (CID 164529757) is 6-chloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid is Cc1cc(F)ccc1Nc1cc(Cl)ncc1C(=O)O.
What is the InChIKey of 6-chloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid?
The InChIKey is XJMWKPRQMMMWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c1-7-4-8(15)2-3-10(7)17-11-5-12(14)16-6-9(11)13(18)19/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-chloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid?
6-chloro-4-(4-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-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 164529757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).