3-(difluoromethyl)-6-methyl-2-nitropyridine-4-carboxamide

C8H7F2N3O3 — CID 133098937

IUPAC3-(difluoromethyl)-6-methyl-2-nitropyridine-4-carboxamide
SMILESCc1cc(C(N)=O)c(C(F)F)c([N+](=O)[O-])n1
InChIInChI=1S/C8H7F2N3O3/c1-3-2-4(7(11)14)5(6(9)10)8(12-3)13(15)16/h2,6H,1H3,(H2,11,14)
InChIKeyFKGHRBWWTWVSAE-UHFFFAOYSA-N
MW231.16 g/mol
LogP1.33
Rot. Bonds3

About 3-(difluoromethyl)-6-methyl-2-nitropyridine-4-carboxamide

3-(difluoromethyl)-6-methyl-2-nitropyridine-4-carboxamide (PubChem CID 133098937) has the molecular formula C8H7F2N3O3 and a molecular weight of 231.16 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-methyl-2-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-6-methyl-2-nitropyridine-4-carboxamide
PubChem CID133098937
Molecular FormulaC8H7F2N3O3
Molecular Weight231.16 g/mol
Exact Mass231.05
IUPAC Name3-(difluoromethyl)-6-methyl-2-nitropyridine-4-carboxamide
SMILESCc1cc(C(N)=O)c(C(F)F)c([N+](=O)[O-])n1
InChIInChI=1S/C8H7F2N3O3/c1-3-2-4(7(11)14)5(6(9)10)8(12-3)13(15)16/h2,6H,1H3,(H2,11,14)
InChIKeyFKGHRBWWTWVSAE-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

4-bromo-5-(difluoromethyl)-6-nitropyridine-2-carboxamide
CID 118811757
4-(bromomethyl)-3-(difluoromethyl)-6-methyl-2-nitropyridine
CID 118824237
3-(difluoromethyl)-4-fluoro-6-methylpyridine-2-carboxamide
CID 130081330
4-amino-3-(difluoromethyl)-6-methylpyridine-2-carboxamide
CID 118851007
ethyl 2-[4-(difluoromethyl)-6-methyl-2-nitro-3-pyridinyl]acetate
CID 133098653
4-(difluoromethyl)-5-fluoro-3-nitropyridine-2-carboxamide
CID 118840768
ethyl 2-(difluoromethyl)-6-methyl-3-nitropyridine-4-carboxylate
CID 133099188
2-amino-3-(difluoromethyl)-6-methylpyridine-4-carboxylic acid
CID 119006118
2-methyl-6-nitroquinoline-4-carboxamide
CID 22397065
5-(difluoromethyl)-4-fluoro-6-nitropyridine-2-carbonyl chloride
CID 133104632
ethyl 4-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carboxylate
CID 133102804
2-(difluoromethyl)-6-methyl-4-nitropyridine
CID 118831929

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-methyl-2-nitropyridine-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-6-methyl-2-nitropyridine-4-carboxamide (CID 133098937) is 3-(difluoromethyl)-6-methyl-2-nitropyridine-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-6-methyl-2-nitropyridine-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-6-methyl-2-nitropyridine-4-carboxamide is Cc1cc(C(N)=O)c(C(F)F)c([N+](=O)[O-])n1.
What is the InChIKey of 3-(difluoromethyl)-6-methyl-2-nitropyridine-4-carboxamide?
The InChIKey is FKGHRBWWTWVSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O3/c1-3-2-4(7(11)14)5(6(9)10)8(12-3)13(15)16/h2,6H,1H3,(H2,11,14).
What are the key properties of 3-(difluoromethyl)-6-methyl-2-nitropyridine-4-carboxamide?
3-(difluoromethyl)-6-methyl-2-nitropyridine-4-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 3-(difluoromethyl)-6-methyl-2-nitropyridine-4-carboxamide is sourced from PubChem (CID 133098937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).