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

C7H4ClF3N2O2 — CID 130081475

IUPAC5-(chloromethyl)-2-(difluoromethyl)-6-fluoro-3-nitropyridine
SMILESO=[N+]([O-])c1cc(CCl)c(F)nc1C(F)F
InChIInChI=1S/C7H4ClF3N2O2/c8-2-3-1-4(13(14)15)5(6(9)10)12-7(3)11/h1,6H,2H2
InChIKeyNBAZBZAZUYHIHE-UHFFFAOYSA-N
MW240.57 g/mol
LogP2.81
Rot. Bonds3

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

5-(chloromethyl)-2-(difluoromethyl)-6-fluoro-3-nitropyridine (PubChem CID 130081475) has the molecular formula C7H4ClF3N2O2 and a molecular weight of 240.57 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(difluoromethyl)-6-fluoro-3-nitropyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(difluoromethyl)-6-fluoro-3-nitropyridine
PubChem CID130081475
Molecular FormulaC7H4ClF3N2O2
Molecular Weight240.57 g/mol
Exact Mass239.99
IUPAC Name5-(chloromethyl)-2-(difluoromethyl)-6-fluoro-3-nitropyridine
SMILESO=[N+]([O-])c1cc(CCl)c(F)nc1C(F)F
InChIInChI=1S/C7H4ClF3N2O2/c8-2-3-1-4(13(14)15)5(6(9)10)12-7(3)11/h1,6H,2H2
InChIKeyNBAZBZAZUYHIHE-UHFFFAOYSA-N
XLogP2.81
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.57
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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

5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130109443
2-(difluoromethyl)-6-fluoro-5-iodo-3-nitropyridine
CID 118854544
3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-nitropyridine
CID 130086601
6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride
CID 118809611
2-(chloromethyl)-6-(difluoromethyl)-5-nitropyridin-3-ol
CID 118832842
ethyl 2-[6-(difluoromethyl)-2-fluoro-5-nitro-3-pyridinyl]acetate
CID 133104681
2-[2-chloro-6-(difluoromethyl)-5-nitro-3-pyridinyl]acetic acid
CID 134674999
6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-carboxamide
CID 118820529
6-(chloromethyl)-2-(difluoromethyl)-3-iodo-4-nitropyridine
CID 130086595
2-[2-chloro-6-(difluoromethyl)-5-nitro-3-pyridinyl]acetonitrile
CID 130074768
3-(chloromethyl)-2-(difluoromethyl)-6-methyl-4-nitropyridine
CID 130088228
6-(difluoromethyl)-5-nitropyridine-2,3-diamine
CID 119002066

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(difluoromethyl)-6-fluoro-3-nitropyridine?
The IUPAC name of 5-(chloromethyl)-2-(difluoromethyl)-6-fluoro-3-nitropyridine (CID 130081475) is 5-(chloromethyl)-2-(difluoromethyl)-6-fluoro-3-nitropyridine.
What is the SMILES notation for 5-(chloromethyl)-2-(difluoromethyl)-6-fluoro-3-nitropyridine?
The canonical SMILES for 5-(chloromethyl)-2-(difluoromethyl)-6-fluoro-3-nitropyridine is O=[N+]([O-])c1cc(CCl)c(F)nc1C(F)F.
What is the InChIKey of 5-(chloromethyl)-2-(difluoromethyl)-6-fluoro-3-nitropyridine?
The InChIKey is NBAZBZAZUYHIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O2/c8-2-3-1-4(13(14)15)5(6(9)10)12-7(3)11/h1,6H,2H2.
What are the key properties of 5-(chloromethyl)-2-(difluoromethyl)-6-fluoro-3-nitropyridine?
5-(chloromethyl)-2-(difluoromethyl)-6-fluoro-3-nitropyridine has a molecular weight of 240.57 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(difluoromethyl)-6-fluoro-3-nitropyridine is sourced from PubChem (CID 130081475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).