6-chloro-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide

C15H12ClF3N2O3 — CID 46912248

IUPAC6-chloro-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cl)nc2)c(OC(F)(F)F)c1
InChIInChI=1S/C15H12ClF3N2O3/c1-23-11-4-2-9(12(6-11)24-15(17,18)19)7-21-14(22)10-3-5-13(16)20-8-10/h2-6,8H,7H2,1H3,(H,21,22)
InChIKeyFKVSYKLMQSAINA-UHFFFAOYSA-N
MW360.72 g/mol
LogP3.57
Rot. Bonds5

About 6-chloro-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide

6-chloro-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 46912248) has the molecular formula C15H12ClF3N2O3 and a molecular weight of 360.72 g/mol. Its IUPAC name is 6-chloro-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
PubChem CID46912248
Molecular FormulaC15H12ClF3N2O3
Molecular Weight360.72 g/mol
Exact Mass360.05
IUPAC Name6-chloro-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cl)nc2)c(OC(F)(F)F)c1
InChIInChI=1S/C15H12ClF3N2O3/c1-23-11-4-2-9(12(6-11)24-15(17,18)19)7-21-14(22)10-3-5-13(16)20-8-10/h2-6,8H,7H2,1H3,(H,21,22)
InChIKeyFKVSYKLMQSAINA-UHFFFAOYSA-N
XLogP3.57
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.72
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide (CID 46912248) is 6-chloro-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2ccc(Cl)nc2)c(OC(F)(F)F)c1.
What is the InChIKey of 6-chloro-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is FKVSYKLMQSAINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O3/c1-23-11-4-2-9(12(6-11)24-15(17,18)19)7-21-14(22)10-3-5-13(16)20-8-10/h2-6,8H,7H2,1H3,(H,21,22).
What are the key properties of 6-chloro-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
6-chloro-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 360.72 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 46912248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).