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

C14H12ClFN2O2 — CID 155452459

IUPAC5-chloro-2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(F)ccc1Nc1nc(C)c(Cl)cc1C(=O)O
InChIInChI=1S/C14H12ClFN2O2/c1-7-5-9(16)3-4-12(7)18-13-10(14(19)20)6-11(15)8(2)17-13/h3-6H,1-2H3,(H,17,18)(H,19,20)
InChIKeyVAALZORLDYGASL-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.93
Rot. Bonds3

About 5-chloro-2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylic acid

5-chloro-2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylic acid (PubChem CID 155452459) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 5-chloro-2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylic acid
PubChem CID155452459
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name5-chloro-2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(F)ccc1Nc1nc(C)c(Cl)cc1C(=O)O
InChIInChI=1S/C14H12ClFN2O2/c1-7-5-9(16)3-4-12(7)18-13-10(14(19)20)6-11(15)8(2)17-13/h3-6H,1-2H3,(H,17,18)(H,19,20)
InChIKeyVAALZORLDYGASL-UHFFFAOYSA-N
XLogP3.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-(difluoromethyl)-2-(4-fluoro-2-methylanilino)benzoic acid
CID 155452781
6-chloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 164529757
6-chloro-2-(5-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 63537975
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-6-methyl-2-(pyridin-3-ylamino)pyridine-3-carboxylic acid
CID 159458826
2-(2-chloro-5-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 107528823
3,5-difluoro-4-(4-fluoro-2-methylanilino)benzoic acid
CID 63183976
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
2-(2-chloro-5-fluoroanilino)-5-fluorobenzoic acid
CID 175233849
5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide
CID 107193351
5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 64629676

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylic acid (CID 155452459) is 5-chloro-2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylic acid is Cc1cc(F)ccc1Nc1nc(C)c(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylic acid?
The InChIKey is VAALZORLDYGASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-7-5-9(16)3-4-12(7)18-13-10(14(19)20)6-11(15)8(2)17-13/h3-6H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylic acid?
5-chloro-2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylic acid has a molecular weight of 294.71 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 155452459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).