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

C7H5F3N2O2 — CID 118803582

IUPAC2-(difluoromethyl)-6-fluoro-3-methyl-4-nitropyridine
SMILESCc1c([N+](=O)[O-])cc(F)nc1C(F)F
InChIInChI=1S/C7H5F3N2O2/c1-3-4(12(13)14)2-5(8)11-6(3)7(9)10/h2,7H,1H3
InChIKeyJCDFCHNKTFCIQC-UHFFFAOYSA-N
MW206.12 g/mol
LogP2.37
Rot. Bonds2

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

2-(difluoromethyl)-6-fluoro-3-methyl-4-nitropyridine (PubChem CID 118803582) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-fluoro-3-methyl-4-nitropyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-6-fluoro-3-methyl-4-nitropyridine
PubChem CID118803582
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name2-(difluoromethyl)-6-fluoro-3-methyl-4-nitropyridine
SMILESCc1c([N+](=O)[O-])cc(F)nc1C(F)F
InChIInChI=1S/C7H5F3N2O2/c1-3-4(12(13)14)2-5(8)11-6(3)7(9)10/h2,7H,1H3
InChIKeyJCDFCHNKTFCIQC-UHFFFAOYSA-N
XLogP2.37
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine
CID 130069111
6-(difluoromethyl)-2,3-dimethyl-4-nitropyridine
CID 130101216
2-(difluoromethyl)-4,6-difluoro-3-methylpyridine
CID 118851823
2-(difluoromethyl)-6-fluoro-3-nitropyridine-4-carbaldehyde
CID 118820515
2-[6-(difluoromethyl)-3-methyl-4-nitro-2-pyridinyl]acetonitrile
CID 133099364
1-(difluoromethyl)-2,5-dimethyl-3-nitrobenzene
CID 119010523
4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-methylpyridine
CID 130080978
2-(difluoromethyl)-6-fluoro-3-methoxy-5-nitropyridine
CID 118837551
2-(difluoromethyl)-6-fluoro-5-iodo-3-nitropyridine
CID 118854544
6-bromo-2-(difluoromethyl)-3-fluoro-4-nitropyridine
CID 130109420
5-(difluoromethyl)-2-fluoro-6-methyl-3-nitropyridine
CID 130080884
5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130109443

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-fluoro-3-methyl-4-nitropyridine?
The IUPAC name of 2-(difluoromethyl)-6-fluoro-3-methyl-4-nitropyridine (CID 118803582) is 2-(difluoromethyl)-6-fluoro-3-methyl-4-nitropyridine.
What is the SMILES notation for 2-(difluoromethyl)-6-fluoro-3-methyl-4-nitropyridine?
The canonical SMILES for 2-(difluoromethyl)-6-fluoro-3-methyl-4-nitropyridine is Cc1c([N+](=O)[O-])cc(F)nc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-6-fluoro-3-methyl-4-nitropyridine?
The InChIKey is JCDFCHNKTFCIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c1-3-4(12(13)14)2-5(8)11-6(3)7(9)10/h2,7H,1H3.
What are the key properties of 2-(difluoromethyl)-6-fluoro-3-methyl-4-nitropyridine?
2-(difluoromethyl)-6-fluoro-3-methyl-4-nitropyridine has a molecular weight of 206.12 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-fluoro-3-methyl-4-nitropyridine is sourced from PubChem (CID 118803582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).