2-methyl-6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid

C15H11F3N2O3 — CID 175554624

IUPAC2-methyl-6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
SMILESCc1nc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1C(=O)O
InChIInChI=1S/C15H11F3N2O3/c1-8-11(14(22)23)6-7-12(19-8)13(21)20-10-4-2-9(3-5-10)15(16,17)18/h2-7H,1H3,(H,20,21)(H,22,23)
InChIKeyFCHROEIKXWKAHC-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.36
Rot. Bonds3

About 2-methyl-6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid

2-methyl-6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid (PubChem CID 175554624) has the molecular formula C15H11F3N2O3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 2-methyl-6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
PubChem CID175554624
Molecular FormulaC15H11F3N2O3
Molecular Weight324.26 g/mol
Exact Mass324.07
IUPAC Name2-methyl-6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
SMILESCc1nc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1C(=O)O
InChIInChI=1S/C15H11F3N2O3/c1-8-11(14(22)23)6-7-12(19-8)13(21)20-10-4-2-9(3-5-10)15(16,17)18/h2-7H,1H3,(H,20,21)(H,22,23)
InChIKeyFCHROEIKXWKAHC-UHFFFAOYSA-N
XLogP3.36
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-6-phenylpyridine-3-carboxylic acid
CID 822960
4-[[6-[3-(Hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid
CID 118191092
4-[[6-[3-(Hydroxymethyl)phenyl]-3-(trifluoromethyl)pyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid
CID 118191094
4-(Pyridine-2-amido)benzoic acid
CID 16770258
4-{[(6-{[(4-Carboxyphenyl)amino]carbonyl}pyridin-2-yl)carbonyl]amino}benzoic acid
CID 22310672
2-Methyl-6-(trifluoromethyl)nicotinic acid
CID 2775683
3-Benzyl-4-({[6-(Cyclohexylmethyl)pyridin-2-Yl]carbonyl}amino)benzoic Acid
CID 42628632
6-(4-Ethylphenyl)-2-methylnicotinic acid
CID 822964
2-Methyl-6-p-tolylpyridine-3-carboxylic acid
CID 7285295
2,6-Dimethylnicotinic acid
CID 11715203
5-p-Tolylcarbamoyl-pyridine-2-carboxylic acid; acetic acid
CID 15121188
Methyl 6-{[4-(trifluoromethyl)anilino]carbonyl}nicotinate
CID 2726674

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid (CID 175554624) is 2-methyl-6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid is Cc1nc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is FCHROEIKXWKAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3/c1-8-11(14(22)23)6-7-12(19-8)13(21)20-10-4-2-9(3-5-10)15(16,17)18/h2-7H,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-methyl-6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid?
2-methyl-6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 324.26 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 175554624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).