2-[(6-methoxy-2-pyridinyl)carbamoyl]-5-(trifluoromethyl)benzoic acid

C15H11F3N2O4 — CID 72947892

IUPAC2-[(6-methoxy-2-pyridinyl)carbamoyl]-5-(trifluoromethyl)benzoic acid
SMILESCOc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2C(=O)O)n1
InChIInChI=1S/C15H11F3N2O4/c1-24-12-4-2-3-11(19-12)20-13(21)9-6-5-8(15(16,17)18)7-10(9)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21)
InChIKeyCVAINIUYHKSLAC-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.06
Rot. Bonds4

About 2-[(6-methoxy-2-pyridinyl)carbamoyl]-5-(trifluoromethyl)benzoic acid

2-[(6-methoxy-2-pyridinyl)carbamoyl]-5-(trifluoromethyl)benzoic acid (PubChem CID 72947892) has the molecular formula C15H11F3N2O4 and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-[(6-methoxy-2-pyridinyl)carbamoyl]-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-[(6-methoxy-2-pyridinyl)carbamoyl]-5-(trifluoromethyl)benzoic acid
PubChem CID72947892
Molecular FormulaC15H11F3N2O4
Molecular Weight340.26 g/mol
Exact Mass340.07
IUPAC Name2-[(6-methoxy-2-pyridinyl)carbamoyl]-5-(trifluoromethyl)benzoic acid
SMILESCOc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2C(=O)O)n1
InChIInChI=1S/C15H11F3N2O4/c1-24-12-4-2-3-11(19-12)20-13(21)9-6-5-8(15(16,17)18)7-10(9)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21)
InChIKeyCVAINIUYHKSLAC-UHFFFAOYSA-N
XLogP3.06
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2-pyridinyl)carbamoyl]-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-[(6-methoxy-2-pyridinyl)carbamoyl]-5-(trifluoromethyl)benzoic acid (CID 72947892) is 2-[(6-methoxy-2-pyridinyl)carbamoyl]-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-[(6-methoxy-2-pyridinyl)carbamoyl]-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-[(6-methoxy-2-pyridinyl)carbamoyl]-5-(trifluoromethyl)benzoic acid is COc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2C(=O)O)n1.
What is the InChIKey of 2-[(6-methoxy-2-pyridinyl)carbamoyl]-5-(trifluoromethyl)benzoic acid?
The InChIKey is CVAINIUYHKSLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O4/c1-24-12-4-2-3-11(19-12)20-13(21)9-6-5-8(15(16,17)18)7-10(9)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21).
What are the key properties of 2-[(6-methoxy-2-pyridinyl)carbamoyl]-5-(trifluoromethyl)benzoic acid?
2-[(6-methoxy-2-pyridinyl)carbamoyl]-5-(trifluoromethyl)benzoic acid has a molecular weight of 340.26 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-2-pyridinyl)carbamoyl]-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 72947892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).