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

C7H4Cl2F2N2O2 — CID 119007926

IUPAC2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
SMILESO=[N+]([O-])c1cc(C(F)F)c(Cl)nc1CCl
InChIInChI=1S/C7H4Cl2F2N2O2/c8-2-4-5(13(14)15)1-3(7(10)11)6(9)12-4/h1,7H,2H2
InChIKeyXMXWMCCXCZBICW-UHFFFAOYSA-N
MW257.02 g/mol
LogP3.32
Rot. Bonds3

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

2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine (PubChem CID 119007926) has the molecular formula C7H4Cl2F2N2O2 and a molecular weight of 257.02 g/mol. Its IUPAC name is 2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine.

Molecular Properties

Compound Name2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
PubChem CID119007926
Molecular FormulaC7H4Cl2F2N2O2
Molecular Weight257.02 g/mol
Exact Mass255.96
IUPAC Name2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
SMILESO=[N+]([O-])c1cc(C(F)F)c(Cl)nc1CCl
InChIInChI=1S/C7H4Cl2F2N2O2/c8-2-4-5(13(14)15)1-3(7(10)11)6(9)12-4/h1,7H,2H2
InChIKeyXMXWMCCXCZBICW-UHFFFAOYSA-N
XLogP3.32
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.02
LogP ≤ 53.32
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

2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
CID 119020031
6-chloro-5-(difluoromethyl)-3-nitropyridin-2-amine
CID 119012355
3-chloro-2-(chloromethyl)-5-(difluoromethyl)-6-nitropyridine
CID 130074727
6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine
CID 130074723
6-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
CID 130102626
2-(chloromethyl)-3-(difluoromethyl)-5-iodo-6-nitropyridine
CID 118826854
6-chloro-2-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 119012569
2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine
CID 118838108
2-(chloromethyl)-6-(difluoromethyl)-5-nitropyridin-3-ol
CID 118832842
2,6-dichloro-3-(difluoromethyl)-4-nitropyridine
CID 119017807
2-chloro-6-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine
CID 119019350
2,6-dibromo-3-(difluoromethyl)-5-nitropyridine
CID 118990338

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine?
The IUPAC name of 2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine (CID 119007926) is 2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine.
What is the SMILES notation for 2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine?
The canonical SMILES for 2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine is O=[N+]([O-])c1cc(C(F)F)c(Cl)nc1CCl.
What is the InChIKey of 2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine?
The InChIKey is XMXWMCCXCZBICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2N2O2/c8-2-4-5(13(14)15)1-3(7(10)11)6(9)12-4/h1,7H,2H2.
What are the key properties of 2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine?
2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine has a molecular weight of 257.02 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine is sourced from PubChem (CID 119007926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).