methyl 6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate

C15H11F3N2O3 — CID 2726674

IUPACmethyl 6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C15H11F3N2O3/c1-23-14(22)9-2-7-12(19-8-9)13(21)20-11-5-3-10(4-6-11)15(16,17)18/h2-8H,1H3,(H,20,21)
InChIKeyWISZZGKBXONFQN-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.14
Rot. Bonds3

About methyl 6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate

methyl 6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate (PubChem CID 2726674) has the molecular formula C15H11F3N2O3 and a molecular weight of 324.26 g/mol. Its IUPAC name is methyl 6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate
PubChem CID2726674
Molecular FormulaC15H11F3N2O3
Molecular Weight324.26 g/mol
Exact Mass324.07
IUPAC Namemethyl 6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C15H11F3N2O3/c1-23-14(22)9-2-7-12(19-8-9)13(21)20-11-5-3-10(4-6-11)15(16,17)18/h2-8H,1H3,(H,20,21)
InChIKeyWISZZGKBXONFQN-UHFFFAOYSA-N
XLogP3.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate (CID 2726674) is methyl 6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of methyl 6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate?
The InChIKey is WISZZGKBXONFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3/c1-23-14(22)9-2-7-12(19-8-9)13(21)20-11-5-3-10(4-6-11)15(16,17)18/h2-8H,1H3,(H,20,21).
What are the key properties of methyl 6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate?
methyl 6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate has a molecular weight of 324.26 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 2726674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).