4-methyl-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide

C13H9F3N2O — CID 110865121

IUPAC4-methyl-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H9F3N2O/c1-7-4-5-17-6-8(7)13(19)18-10-3-2-9(14)11(15)12(10)16/h2-6H,1H3,(H,18,19)
InChIKeySUJWNMVDZATKLS-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.06
Rot. Bonds2

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

4-methyl-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide (PubChem CID 110865121) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is 4-methyl-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
PubChem CID110865121
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name4-methyl-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H9F3N2O/c1-7-4-5-17-6-8(7)13(19)18-10-3-2-9(14)11(15)12(10)16/h2-6H,1H3,(H,18,19)
InChIKeySUJWNMVDZATKLS-UHFFFAOYSA-N
XLogP3.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 103857092
5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 63327503
2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide
CID 60594295
N-(3-fluoro-4-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 107595502
N-(4-ethylphenyl)-4-methylpyridine-3-carboxamide
CID 110857788
3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 63327399
4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 2110476
4,6-dimethyl-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide
CID 110865190
3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26690686
4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860907
3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 106544474
5-amino-N-(3-fluoro-4-pyridinyl)-2-methylbenzamide
CID 107594566

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 4-methyl-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide (CID 110865121) is 4-methyl-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide is Cc1ccncc1C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 4-methyl-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The InChIKey is SUJWNMVDZATKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c1-7-4-5-17-6-8(7)13(19)18-10-3-2-9(14)11(15)12(10)16/h2-6H,1H3,(H,18,19).
What are the key properties of 4-methyl-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
4-methyl-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide has a molecular weight of 266.22 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 110865121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).