6-chloro-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide

C14H10ClF3N2O2 — CID 25176736

IUPAC6-chloro-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C14H10ClF3N2O2/c1-22-10-4-2-3-9(6-10)20-13(21)8-5-11(14(16,17)18)12(15)19-7-8/h2-7H,1H3,(H,20,21)
InChIKeyHPXBZTCWRBAQPG-UHFFFAOYSA-N
MW330.69 g/mol
LogP4.01
Rot. Bonds3

About 6-chloro-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide

6-chloro-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 25176736) has the molecular formula C14H10ClF3N2O2 and a molecular weight of 330.69 g/mol. Its IUPAC name is 6-chloro-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID25176736
Molecular FormulaC14H10ClF3N2O2
Molecular Weight330.69 g/mol
Exact Mass330.04
IUPAC Name6-chloro-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C14H10ClF3N2O2/c1-22-10-4-2-3-9(6-10)20-13(21)8-5-11(14(16,17)18)12(15)19-7-8/h2-7H,1H3,(H,20,21)
InChIKeyHPXBZTCWRBAQPG-UHFFFAOYSA-N
XLogP4.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.69
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 25176736) is 6-chloro-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide is COc1cccc(NC(=O)c2cnc(Cl)c(C(F)(F)F)c2)c1.
What is the InChIKey of 6-chloro-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is HPXBZTCWRBAQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O2/c1-22-10-4-2-3-9(6-10)20-13(21)8-5-11(14(16,17)18)12(15)19-7-8/h2-7H,1H3,(H,20,21).
What are the key properties of 6-chloro-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
6-chloro-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 330.69 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 25176736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).