N-(3-fluoro-4-methyl-5-nitrophenyl)-4-(trifluoromethyl)pyridine-2-carboxamide

C14H9F4N3O3 — CID 164905465

IUPACN-(3-fluoro-4-methyl-5-nitrophenyl)-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1c(F)cc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H9F4N3O3/c1-7-10(15)5-9(6-12(7)21(23)24)20-13(22)11-4-8(2-3-19-11)14(16,17)18/h2-6H,1H3,(H,20,22)
InChIKeyXAKHOZAUUYQCCN-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.71
Rot. Bonds3

About N-(3-fluoro-4-methyl-5-nitrophenyl)-4-(trifluoromethyl)pyridine-2-carboxamide

N-(3-fluoro-4-methyl-5-nitrophenyl)-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 164905465) has the molecular formula C14H9F4N3O3 and a molecular weight of 343.24 g/mol. Its IUPAC name is N-(3-fluoro-4-methyl-5-nitrophenyl)-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methyl-5-nitrophenyl)-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID164905465
Molecular FormulaC14H9F4N3O3
Molecular Weight343.24 g/mol
Exact Mass343.06
IUPAC NameN-(3-fluoro-4-methyl-5-nitrophenyl)-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1c(F)cc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H9F4N3O3/c1-7-10(15)5-9(6-12(7)21(23)24)20-13(22)11-4-8(2-3-19-11)14(16,17)18/h2-6H,1H3,(H,20,22)
InChIKeyXAKHOZAUUYQCCN-UHFFFAOYSA-N
XLogP3.71
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-fluoro-4-methyl-5-nitrophenyl)-4-(trifluoromethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-fluoro-2-methyl-3-nitro-5-(trifluoromethyl)benzene
CID 171030388
N-[4-methyl-3-(2-trimethylsilylethynyl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 164572625
4-hydrazinyl-N-(4-methyl-3-nitrophenyl)pyridine-2-carboxamide
CID 62238018
4-(trifluoromethyl)pyridine-2-carbohydrazide
CID 90455852
N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
CID 110461743
3-fluoro-4-methyl-5-nitro-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 55803074
4-amino-N-(3-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 62185643
7-[chloro(difluoro)methyl]-5-methyl-N-(4-methyl-3,5-dinitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19458118
N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-2-nitrobenzamide
CID 34198576
N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 169075272
2-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091236
N-[4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 163894758

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methyl-5-nitrophenyl)-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-methyl-5-nitrophenyl)-4-(trifluoromethyl)pyridine-2-carboxamide (CID 164905465) is N-(3-fluoro-4-methyl-5-nitrophenyl)-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methyl-5-nitrophenyl)-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methyl-5-nitrophenyl)-4-(trifluoromethyl)pyridine-2-carboxamide is Cc1c(F)cc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1[N+](=O)[O-].
What is the InChIKey of N-(3-fluoro-4-methyl-5-nitrophenyl)-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is XAKHOZAUUYQCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4N3O3/c1-7-10(15)5-9(6-12(7)21(23)24)20-13(22)11-4-8(2-3-19-11)14(16,17)18/h2-6H,1H3,(H,20,22).
What are the key properties of N-(3-fluoro-4-methyl-5-nitrophenyl)-4-(trifluoromethyl)pyridine-2-carboxamide?
N-(3-fluoro-4-methyl-5-nitrophenyl)-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 343.24 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methyl-5-nitrophenyl)-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 164905465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).