2-nitro-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

C13H8F3N3O3 — CID 22030050

IUPAC2-nitro-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2ncccc2C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H8F3N3O3/c14-13(15,16)9-2-1-5-18-11(9)7-3-4-8(12(17)20)10(6-7)19(21)22/h1-6H,(H2,17,20)
InChIKeyLSUDKLLYNQWJFU-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.77
Rot. Bonds3

About 2-nitro-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

2-nitro-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 22030050) has the molecular formula C13H8F3N3O3 and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-nitro-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-nitro-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID22030050
Molecular FormulaC13H8F3N3O3
Molecular Weight311.22 g/mol
Exact Mass311.05
IUPAC Name2-nitro-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2ncccc2C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H8F3N3O3/c14-13(15,16)9-2-1-5-18-11(9)7-3-4-8(12(17)20)10(6-7)19(21)22/h1-6H,(H2,17,20)
InChIKeyLSUDKLLYNQWJFU-UHFFFAOYSA-N
XLogP2.77
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.77
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'}

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Related Compounds

2-nitro-4-[3-(trifluoromethyl)-2-pyridinyl]-N-[4-(trifluoromethylsulfonyl)phenyl]benzamide
CID 58639482
2-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide
CID 154376206
4-(6-methoxy-3-pyridinyl)-2-nitrobenzamide
CID 143786292
2-[3-[3-(trifluoromethyl)-2-pyridinyl]phenyl]guanidine;dihydrochloride
CID 70205107
2-bromo-5-nitro-4-(trifluoromethyl)benzamide
CID 171003210
4-(1,3-dioxoisoindol-2-yl)-2-nitrobenzamide
CID 168518775
2-(4-bromophenyl)-3-(trifluoromethyl)pyridine
CID 22030268
3-nitro-2-(trifluoromethyl)benzamide
CID 131870243
2-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxylic acid
CID 59811149
sodium;2-nitrobenzamide;chloride;hydrochloride
CID 67948148
2-(trifluoromethyl)pyridine-3-carboxamide
CID 6425058
[2-nitro-6-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone
CID 118836250

Frequently Asked Questions

What is the IUPAC name of 2-nitro-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 2-nitro-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (CID 22030050) is 2-nitro-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-nitro-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-nitro-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is NC(=O)c1ccc(-c2ncccc2C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is LSUDKLLYNQWJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O3/c14-13(15,16)9-2-1-5-18-11(9)7-3-4-8(12(17)20)10(6-7)19(21)22/h1-6H,(H2,17,20).
What are the key properties of 2-nitro-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
2-nitro-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 311.22 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 22030050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).