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

C8H7F2N3O3 — CID 133098851

IUPAC5-(difluoromethyl)-2-methyl-4-nitropyridine-3-carboxamide
SMILESCc1ncc(C(F)F)c([N+](=O)[O-])c1C(N)=O
InChIInChI=1S/C8H7F2N3O3/c1-3-5(8(11)14)6(13(15)16)4(2-12-3)7(9)10/h2,7H,1H3,(H2,11,14)
InChIKeyQZKCGIHUXSCQJO-UHFFFAOYSA-N
MW231.16 g/mol
LogP1.33
Rot. Bonds3

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

5-(difluoromethyl)-2-methyl-4-nitropyridine-3-carboxamide (PubChem CID 133098851) has the molecular formula C8H7F2N3O3 and a molecular weight of 231.16 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-methyl-4-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-2-methyl-4-nitropyridine-3-carboxamide
PubChem CID133098851
Molecular FormulaC8H7F2N3O3
Molecular Weight231.16 g/mol
Exact Mass231.05
IUPAC Name5-(difluoromethyl)-2-methyl-4-nitropyridine-3-carboxamide
SMILESCc1ncc(C(F)F)c([N+](=O)[O-])c1C(N)=O
InChIInChI=1S/C8H7F2N3O3/c1-3-5(8(11)14)6(13(15)16)4(2-12-3)7(9)10/h2,7H,1H3,(H2,11,14)
InChIKeyQZKCGIHUXSCQJO-UHFFFAOYSA-N
XLogP1.33
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.16
LogP ≤ 51.33
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

5-(difluoromethyl)-2-methyl-3-nitropyridine-4-carboxylic acid
CID 130088351
5-(difluoromethyl)-2-methyl-4-nitropyridine-3-sulfonamide
CID 133098943
ethyl 5-(difluoromethyl)-2-iodo-4-nitropyridine-3-carboxylate
CID 133101586
4-(difluoromethyl)-2-methylpyridine-3-carboxamide
CID 118840150
2-bromo-5-(difluoromethyl)-3-methyl-4-nitropyridine
CID 119020785
5-(difluoromethyl)-4-nitropyridine-2,3-diamine
CID 119023980
4-(difluoromethyl)-6-methyl-5-nitropyridin-3-amine
CID 130106268
4-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxamide
CID 118822344
4-(difluoromethyl)-5-fluoro-3-nitropyridine-2-carboxamide
CID 118840768
ethyl 5-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134672833
5-(bromomethyl)-4-(difluoromethyl)-2-methyl-3-nitropyridine
CID 130088194
4-(difluoromethyl)-6-methyl-5-nitropyridine-2-carbonyl chloride
CID 133099090

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-methyl-4-nitropyridine-3-carboxamide?
The IUPAC name of 5-(difluoromethyl)-2-methyl-4-nitropyridine-3-carboxamide (CID 133098851) is 5-(difluoromethyl)-2-methyl-4-nitropyridine-3-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-2-methyl-4-nitropyridine-3-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-2-methyl-4-nitropyridine-3-carboxamide is Cc1ncc(C(F)F)c([N+](=O)[O-])c1C(N)=O.
What is the InChIKey of 5-(difluoromethyl)-2-methyl-4-nitropyridine-3-carboxamide?
The InChIKey is QZKCGIHUXSCQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O3/c1-3-5(8(11)14)6(13(15)16)4(2-12-3)7(9)10/h2,7H,1H3,(H2,11,14).
What are the key properties of 5-(difluoromethyl)-2-methyl-4-nitropyridine-3-carboxamide?
5-(difluoromethyl)-2-methyl-4-nitropyridine-3-carboxamide has a molecular weight of 231.16 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-methyl-4-nitropyridine-3-carboxamide is sourced from PubChem (CID 133098851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).