4-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxamide

C8H4F2N4O3 — CID 118822344

IUPAC4-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxamide
SMILESN#Cc1c(C(F)F)cnc(C(N)=O)c1[N+](=O)[O-]
InChIInChI=1S/C8H4F2N4O3/c9-7(10)4-2-13-5(8(12)15)6(14(16)17)3(4)1-11/h2,7H,(H2,12,15)
InChIKeySWWUTUCRWOXIAC-UHFFFAOYSA-N
MW242.14 g/mol
LogP0.90
Rot. Bonds3

About 4-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxamide

4-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxamide (PubChem CID 118822344) has the molecular formula C8H4F2N4O3 and a molecular weight of 242.14 g/mol. Its IUPAC name is 4-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxamide
PubChem CID118822344
Molecular FormulaC8H4F2N4O3
Molecular Weight242.14 g/mol
Exact Mass242.03
IUPAC Name4-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxamide
SMILESN#Cc1c(C(F)F)cnc(C(N)=O)c1[N+](=O)[O-]
InChIInChI=1S/C8H4F2N4O3/c9-7(10)4-2-13-5(8(12)15)6(14(16)17)3(4)1-11/h2,7H,(H2,12,15)
InChIKeySWWUTUCRWOXIAC-UHFFFAOYSA-N
XLogP0.90
TPSA122.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-cyano-5-(difluoromethyl)-3-nitropyridine-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

4-(difluoromethyl)-5-fluoro-3-nitropyridine-2-carboxamide
CID 118840768
4-cyano-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 118850099
3-bromo-5-(difluoromethyl)-2-nitropyridine-4-carbonitrile
CID 130108736
2-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine-3-carbonitrile
CID 130078579
5-(difluoromethyl)-2-methyl-4-nitropyridine-3-carboxamide
CID 133098851
3-chloro-4-cyano-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130071333
5-(difluoromethyl)-4-fluoro-3-nitropyridine-2-carboxylic acid
CID 130081512
2-[2-cyano-5-(difluoromethyl)-3-nitro-4-pyridinyl]acetic acid
CID 119013916
ethyl 5-cyano-6-(difluoromethyl)-4-nitropyridine-3-carboxylate
CID 133107430
3-cyano-5-(difluoromethyl)-4-methylpyridine-2-carboxylic acid
CID 130078420
ethyl 3-bromo-4-cyano-5-(difluoromethyl)pyridine-2-carboxylate
CID 134677909
5-(difluoromethyl)-2-nitropyridine-4-carbonitrile
CID 118805197

Frequently Asked Questions

What is the IUPAC name of 4-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxamide?
The IUPAC name of 4-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxamide (CID 118822344) is 4-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxamide.
What is the SMILES notation for 4-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxamide?
The canonical SMILES for 4-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxamide is N#Cc1c(C(F)F)cnc(C(N)=O)c1[N+](=O)[O-].
What is the InChIKey of 4-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxamide?
The InChIKey is SWWUTUCRWOXIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N4O3/c9-7(10)4-2-13-5(8(12)15)6(14(16)17)3(4)1-11/h2,7H,(H2,12,15).
What are the key properties of 4-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxamide?
4-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxamide has a molecular weight of 242.14 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxamide is sourced from PubChem (CID 118822344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).