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

C7H5F3N2O2 — CID 130080884

IUPAC5-(difluoromethyl)-2-fluoro-6-methyl-3-nitropyridine
SMILESCc1nc(F)c([N+](=O)[O-])cc1C(F)F
InChIInChI=1S/C7H5F3N2O2/c1-3-4(6(8)9)2-5(12(13)14)7(10)11-3/h2,6H,1H3
InChIKeyQUNJOVKLAGIJAN-UHFFFAOYSA-N
MW206.12 g/mol
LogP2.37
Rot. Bonds2

About 5-(difluoromethyl)-2-fluoro-6-methyl-3-nitropyridine

5-(difluoromethyl)-2-fluoro-6-methyl-3-nitropyridine (PubChem CID 130080884) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-fluoro-6-methyl-3-nitropyridine.

Molecular Properties

Compound Name5-(difluoromethyl)-2-fluoro-6-methyl-3-nitropyridine
PubChem CID130080884
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name5-(difluoromethyl)-2-fluoro-6-methyl-3-nitropyridine
SMILESCc1nc(F)c([N+](=O)[O-])cc1C(F)F
InChIInChI=1S/C7H5F3N2O2/c1-3-4(6(8)9)2-5(12(13)14)7(10)11-3/h2,6H,1H3
InChIKeyQUNJOVKLAGIJAN-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

methyl 5-(difluoromethyl)-6-methyl-3-nitropyridine-2-carboxylate
CID 133098779
6-(difluoromethyl)-2,3-dimethyl-4-nitropyridine
CID 130101216
2-(difluoromethyl)-6-fluoro-3-methoxy-5-nitropyridine
CID 118837551
2,6-dibromo-3-(difluoromethyl)-5-nitropyridine
CID 118990338
5-(chloromethyl)-3-(difluoromethyl)-2-methyl-6-nitropyridine
CID 130088240
1-(difluoromethyl)-2,5-dimethyl-3-nitrobenzene
CID 119010523
6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde
CID 130088296
2-(difluoromethyl)-6-fluoro-3-methyl-4-nitropyridine
CID 118803582
6-chloro-5-(difluoromethyl)-3-nitropyridin-2-amine
CID 119012355
3-(difluoromethyl)-6-iodo-5-nitropyridin-2-amine
CID 118997575
6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbonitrile
CID 133107766
5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine
CID 130085938

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-fluoro-6-methyl-3-nitropyridine?
The IUPAC name of 5-(difluoromethyl)-2-fluoro-6-methyl-3-nitropyridine (CID 130080884) is 5-(difluoromethyl)-2-fluoro-6-methyl-3-nitropyridine.
What is the SMILES notation for 5-(difluoromethyl)-2-fluoro-6-methyl-3-nitropyridine?
The canonical SMILES for 5-(difluoromethyl)-2-fluoro-6-methyl-3-nitropyridine is Cc1nc(F)c([N+](=O)[O-])cc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-2-fluoro-6-methyl-3-nitropyridine?
The InChIKey is QUNJOVKLAGIJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c1-3-4(6(8)9)2-5(12(13)14)7(10)11-3/h2,6H,1H3.
What are the key properties of 5-(difluoromethyl)-2-fluoro-6-methyl-3-nitropyridine?
5-(difluoromethyl)-2-fluoro-6-methyl-3-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 5-(difluoromethyl)-2-fluoro-6-methyl-3-nitropyridine is sourced from PubChem (CID 130080884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).