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

C7H4ClF3N2O2 — CID 118804420

IUPAC2-(chloromethyl)-3-(difluoromethyl)-4-fluoro-6-nitropyridine
SMILESO=[N+]([O-])c1cc(F)c(C(F)F)c(CCl)n1
InChIInChI=1S/C7H4ClF3N2O2/c8-2-4-6(7(10)11)3(9)1-5(12-4)13(14)15/h1,7H,2H2
InChIKeyANHHROPPTFHJDK-UHFFFAOYSA-N
MW240.57 g/mol
LogP2.81
Rot. Bonds3

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

2-(chloromethyl)-3-(difluoromethyl)-4-fluoro-6-nitropyridine (PubChem CID 118804420) has the molecular formula C7H4ClF3N2O2 and a molecular weight of 240.57 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(difluoromethyl)-4-fluoro-6-nitropyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(difluoromethyl)-4-fluoro-6-nitropyridine
PubChem CID118804420
Molecular FormulaC7H4ClF3N2O2
Molecular Weight240.57 g/mol
Exact Mass239.99
IUPAC Name2-(chloromethyl)-3-(difluoromethyl)-4-fluoro-6-nitropyridine
SMILESO=[N+]([O-])c1cc(F)c(C(F)F)c(CCl)n1
InChIInChI=1S/C7H4ClF3N2O2/c8-2-4-6(7(10)11)3(9)1-5(12-4)13(14)15/h1,7H,2H2
InChIKeyANHHROPPTFHJDK-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': '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

6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine
CID 130074723
methyl 3-(difluoromethyl)-4-fluoro-6-nitropyridine-2-carboxylate
CID 133104560
2-(difluoromethyl)-4-fluoro-6-nitropyridin-3-amine
CID 130103953
3-(difluoromethyl)-4,6-difluoro-2-nitropyridine
CID 118800101
2-chloro-4-(difluoromethyl)-6-nitropyridine
CID 118997619
2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine
CID 118838108
2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine
CID 118851730
2-(chloromethyl)-6-nitro-3-(trifluoromethyl)pyridine
CID 131500569
4-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonitrile
CID 118845280
2-[4-cyano-3-(difluoromethyl)-6-nitro-2-pyridinyl]acetic acid
CID 133106698
2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
CID 119007926
3-(difluoromethyl)-4-fluoro-6-methoxy-2-nitropyridine
CID 133105790

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(difluoromethyl)-4-fluoro-6-nitropyridine?
The IUPAC name of 2-(chloromethyl)-3-(difluoromethyl)-4-fluoro-6-nitropyridine (CID 118804420) is 2-(chloromethyl)-3-(difluoromethyl)-4-fluoro-6-nitropyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(difluoromethyl)-4-fluoro-6-nitropyridine?
The canonical SMILES for 2-(chloromethyl)-3-(difluoromethyl)-4-fluoro-6-nitropyridine is O=[N+]([O-])c1cc(F)c(C(F)F)c(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-3-(difluoromethyl)-4-fluoro-6-nitropyridine?
The InChIKey is ANHHROPPTFHJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O2/c8-2-4-6(7(10)11)3(9)1-5(12-4)13(14)15/h1,7H,2H2.
What are the key properties of 2-(chloromethyl)-3-(difluoromethyl)-4-fluoro-6-nitropyridine?
2-(chloromethyl)-3-(difluoromethyl)-4-fluoro-6-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 2-(chloromethyl)-3-(difluoromethyl)-4-fluoro-6-nitropyridine is sourced from PubChem (CID 118804420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).