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

C8H6F2N2O4 — CID 118820433

IUPAC2-(difluoromethyl)-4-methyl-6-nitropyridine-3-carboxylic acid
SMILESCc1cc([N+](=O)[O-])nc(C(F)F)c1C(=O)O
InChIInChI=1S/C8H6F2N2O4/c1-3-2-4(12(15)16)11-6(7(9)10)5(3)8(13)14/h2,7H,1H3,(H,13,14)
InChIKeySCNBPMNITLGYMO-UHFFFAOYSA-N
MW232.14 g/mol
LogP1.93
Rot. Bonds3

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

2-(difluoromethyl)-4-methyl-6-nitropyridine-3-carboxylic acid (PubChem CID 118820433) has the molecular formula C8H6F2N2O4 and a molecular weight of 232.14 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-methyl-6-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-4-methyl-6-nitropyridine-3-carboxylic acid
PubChem CID118820433
Molecular FormulaC8H6F2N2O4
Molecular Weight232.14 g/mol
Exact Mass232.03
IUPAC Name2-(difluoromethyl)-4-methyl-6-nitropyridine-3-carboxylic acid
SMILESCc1cc([N+](=O)[O-])nc(C(F)F)c1C(=O)O
InChIInChI=1S/C8H6F2N2O4/c1-3-2-4(12(15)16)11-6(7(9)10)5(3)8(13)14/h2,7H,1H3,(H,13,14)
InChIKeySCNBPMNITLGYMO-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

2-(difluoromethyl)-3-hydroxy-6-nitropyridine-4-carboxylic acid
CID 118831588
2-(difluoromethyl)-4-iodo-6-nitropyridine-3-carbonyl chloride
CID 118826585
4-(difluoromethyl)-2-fluoro-6-nitropyridine-3-carboxylic acid
CID 118823903
2-[4-bromo-2-(difluoromethyl)-6-nitro-3-pyridinyl]acetic acid
CID 118806238
4-(difluoromethyl)-3-methyl-6-nitropyridine-2-carboxylic acid
CID 130088350
2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118803490
4-bromo-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130101830
2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol
CID 118826123
ethyl 2-[3-(difluoromethyl)-4-methyl-6-nitro-2-pyridinyl]acetate
CID 133099088
2-(difluoromethyl)-3,4-diiodo-6-nitropyridine
CID 118842792
[2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
CID 118820582
2-(difluoromethyl)-4-fluoro-6-nitropyridin-3-amine
CID 130103953

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-methyl-6-nitropyridine-3-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-4-methyl-6-nitropyridine-3-carboxylic acid (CID 118820433) is 2-(difluoromethyl)-4-methyl-6-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-4-methyl-6-nitropyridine-3-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-4-methyl-6-nitropyridine-3-carboxylic acid is Cc1cc([N+](=O)[O-])nc(C(F)F)c1C(=O)O.
What is the InChIKey of 2-(difluoromethyl)-4-methyl-6-nitropyridine-3-carboxylic acid?
The InChIKey is SCNBPMNITLGYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O4/c1-3-2-4(12(15)16)11-6(7(9)10)5(3)8(13)14/h2,7H,1H3,(H,13,14).
What are the key properties of 2-(difluoromethyl)-4-methyl-6-nitropyridine-3-carboxylic acid?
2-(difluoromethyl)-4-methyl-6-nitropyridine-3-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 2-(difluoromethyl)-4-methyl-6-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 118820433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).