6-methoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide

C13H9F3N2O2 — CID 84581357

IUPAC6-methoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C13H9F3N2O2/c1-20-10-5-2-7(6-17-10)13(19)18-9-4-3-8(14)11(15)12(9)16/h2-6H,1H3,(H,18,19)
InChIKeyXZUDRKMKDABBFS-UHFFFAOYSA-N
MW282.22 g/mol
LogP2.76
Rot. Bonds3

About 6-methoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide

6-methoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide (PubChem CID 84581357) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is 6-methoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
PubChem CID84581357
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC Name6-methoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C13H9F3N2O2/c1-20-10-5-2-7(6-17-10)13(19)18-9-4-3-8(14)11(15)12(9)16/h2-6H,1H3,(H,18,19)
InChIKeyXZUDRKMKDABBFS-UHFFFAOYSA-N
XLogP2.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-fluorophenyl)-6-methoxypyridine-3-carboxamide
CID 134017875
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 4879673
2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 51113240
6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 84580545
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-methoxypyridine-3-carboxamide
CID 51090541
4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 2110476
N-(4-bromo-2-chlorophenyl)-6-methoxypyridine-3-carboxamide
CID 134016007
N'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide
CID 27007451
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
6-methoxy-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 35204389
4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid
CID 43358856
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-6-methoxypyridine-3-carboxamide
CID 134056596

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide (CID 84581357) is 6-methoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide is COc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cn1.
What is the InChIKey of 6-methoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The InChIKey is XZUDRKMKDABBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c1-20-10-5-2-7(6-17-10)13(19)18-9-4-3-8(14)11(15)12(9)16/h2-6H,1H3,(H,18,19).
What are the key properties of 6-methoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
6-methoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide has a molecular weight of 282.22 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 84581357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).