6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxamide

C8H4F5N3O3 — CID 118831634

IUPAC6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESNC(=O)c1nc(C(F)F)c([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C8H4F5N3O3/c9-6(10)5-3(16(18)19)1-2(8(11,12)13)4(15-5)7(14)17/h1,6H,(H2,14,17)
InChIKeyCVPOYXMKGZOKGV-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.05
Rot. Bonds3

About 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxamide

6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118831634) has the molecular formula C8H4F5N3O3 and a molecular weight of 285.13 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118831634
Molecular FormulaC8H4F5N3O3
Molecular Weight285.13 g/mol
Exact Mass285.02
IUPAC Name6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESNC(=O)c1nc(C(F)F)c([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C8H4F5N3O3/c9-6(10)5-3(16(18)19)1-2(8(11,12)13)4(15-5)7(14)17/h1,6H,(H2,14,17)
InChIKeyCVPOYXMKGZOKGV-UHFFFAOYSA-N
XLogP2.05
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.05
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

6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118854491
[6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118803451
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118820580
6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-carboxamide
CID 118820529
2-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridin-3-ol
CID 133102745
6-amino-5-(difluoromethyl)-3-nitropyridine-2-carboxamide
CID 119023564
methyl 6-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylate
CID 133098599
2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-4-carboxamide
CID 118854512
6-(difluoromethyl)-5-nitropyridine-2,3-diamine
CID 119002066
2-[6-methoxycarbonyl-5-nitro-3-(trifluoromethyl)-2-pyridinyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 176883954
6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 134675519
5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130109443

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxamide (CID 118831634) is 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxamide is NC(=O)c1nc(C(F)F)c([N+](=O)[O-])cc1C(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is CVPOYXMKGZOKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5N3O3/c9-6(10)5-3(16(18)19)1-2(8(11,12)13)4(15-5)7(14)17/h1,6H,(H2,14,17).
What are the key properties of 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxamide?
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 285.13 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118831634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).