2-[(6-methyl-2-pyridinyl)carbamoyl]-4-(trifluoromethyl)benzoic acid

C15H11F3N2O3 — CID 72947482

IUPAC2-[(6-methyl-2-pyridinyl)carbamoyl]-4-(trifluoromethyl)benzoic acid
SMILESCc1cccc(NC(=O)c2cc(C(F)(F)F)ccc2C(=O)O)n1
InChIInChI=1S/C15H11F3N2O3/c1-8-3-2-4-12(19-8)20-13(21)11-7-9(15(16,17)18)5-6-10(11)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21)
InChIKeyOVLZMNNJQMDMRO-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.36
Rot. Bonds3

About 2-[(6-methyl-2-pyridinyl)carbamoyl]-4-(trifluoromethyl)benzoic acid

2-[(6-methyl-2-pyridinyl)carbamoyl]-4-(trifluoromethyl)benzoic acid (PubChem CID 72947482) has the molecular formula C15H11F3N2O3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)carbamoyl]-4-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)carbamoyl]-4-(trifluoromethyl)benzoic acid
PubChem CID72947482
Molecular FormulaC15H11F3N2O3
Molecular Weight324.26 g/mol
Exact Mass324.07
IUPAC Name2-[(6-methyl-2-pyridinyl)carbamoyl]-4-(trifluoromethyl)benzoic acid
SMILESCc1cccc(NC(=O)c2cc(C(F)(F)F)ccc2C(=O)O)n1
InChIInChI=1S/C15H11F3N2O3/c1-8-3-2-4-12(19-8)20-13(21)11-7-9(15(16,17)18)5-6-10(11)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21)
InChIKeyOVLZMNNJQMDMRO-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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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)carbamoyl]-4-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)carbamoyl]-4-(trifluoromethyl)benzoic acid (CID 72947482) is 2-[(6-methyl-2-pyridinyl)carbamoyl]-4-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)carbamoyl]-4-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)carbamoyl]-4-(trifluoromethyl)benzoic acid is Cc1cccc(NC(=O)c2cc(C(F)(F)F)ccc2C(=O)O)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)carbamoyl]-4-(trifluoromethyl)benzoic acid?
The InChIKey is OVLZMNNJQMDMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3/c1-8-3-2-4-12(19-8)20-13(21)11-7-9(15(16,17)18)5-6-10(11)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21).
What are the key properties of 2-[(6-methyl-2-pyridinyl)carbamoyl]-4-(trifluoromethyl)benzoic acid?
2-[(6-methyl-2-pyridinyl)carbamoyl]-4-(trifluoromethyl)benzoic 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-[(6-methyl-2-pyridinyl)carbamoyl]-4-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 72947482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).