4-(difluoromethyl)-3-methyl-6-nitropyridine-2-carboxylic acid

C8H6F2N2O4 — CID 130088350

IUPAC4-(difluoromethyl)-3-methyl-6-nitropyridine-2-carboxylic acid
SMILESCc1c(C(F)F)cc([N+](=O)[O-])nc1C(=O)O
InChIInChI=1S/C8H6F2N2O4/c1-3-4(7(9)10)2-5(12(15)16)11-6(3)8(13)14/h2,7H,1H3,(H,13,14)
InChIKeyOVSCEKUNXKKBEE-UHFFFAOYSA-N
MW232.14 g/mol
LogP1.93
Rot. Bonds3

About 4-(difluoromethyl)-3-methyl-6-nitropyridine-2-carboxylic acid

4-(difluoromethyl)-3-methyl-6-nitropyridine-2-carboxylic acid (PubChem CID 130088350) has the molecular formula C8H6F2N2O4 and a molecular weight of 232.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-methyl-6-nitropyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-3-methyl-6-nitropyridine-2-carboxylic acid
PubChem CID130088350
Molecular FormulaC8H6F2N2O4
Molecular Weight232.14 g/mol
Exact Mass232.03
IUPAC Name4-(difluoromethyl)-3-methyl-6-nitropyridine-2-carboxylic acid
SMILESCc1c(C(F)F)cc([N+](=O)[O-])nc1C(=O)O
InChIInChI=1S/C8H6F2N2O4/c1-3-4(7(9)10)2-5(12(15)16)11-6(3)8(13)14/h2,7H,1H3,(H,13,14)
InChIKeyOVSCEKUNXKKBEE-UHFFFAOYSA-N
XLogP1.93
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.14
LogP ≤ 51.93
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-(difluoromethyl)-2-fluoro-6-nitropyridine-3-carboxylic acid
CID 118823903
methyl 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carboxylate
CID 133103216
[4-(difluoromethyl)-3-methyl-6-nitro-2-pyridinyl]methanamine
CID 118814451
4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride
CID 118829446
4-(difluoromethyl)-2-methyl-6-nitropyridin-3-amine
CID 130106264
2-(difluoromethyl)-4-methyl-6-nitropyridine-3-carboxylic acid
CID 118820433
3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carboxylic acid
CID 130081519
4-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 118818087
methyl 2-amino-4-(difluoromethyl)-6-nitropyridine-3-carboxylate
CID 134663964
ethyl 3-(difluoromethyl)-6-nitropyridine-2-carboxylate
CID 134670408
ethyl 2-[4-(difluoromethyl)-2-fluoro-6-nitro-3-pyridinyl]acetate
CID 133104916
3-bromo-5-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
CID 130069422

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-methyl-6-nitropyridine-2-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-3-methyl-6-nitropyridine-2-carboxylic acid (CID 130088350) is 4-(difluoromethyl)-3-methyl-6-nitropyridine-2-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-3-methyl-6-nitropyridine-2-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-3-methyl-6-nitropyridine-2-carboxylic acid is Cc1c(C(F)F)cc([N+](=O)[O-])nc1C(=O)O.
What is the InChIKey of 4-(difluoromethyl)-3-methyl-6-nitropyridine-2-carboxylic acid?
The InChIKey is OVSCEKUNXKKBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O4/c1-3-4(7(9)10)2-5(12(15)16)11-6(3)8(13)14/h2,7H,1H3,(H,13,14).
What are the key properties of 4-(difluoromethyl)-3-methyl-6-nitropyridine-2-carboxylic acid?
4-(difluoromethyl)-3-methyl-6-nitropyridine-2-carboxylic acid has a molecular weight of 232.14 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-methyl-6-nitropyridine-2-carboxylic acid is sourced from PubChem (CID 130088350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).