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

C7H4Cl2F2N2O2 — CID 130074723

IUPAC6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)nc(CCl)c1C(F)F
InChIInChI=1S/C7H4Cl2F2N2O2/c8-2-3-6(7(10)11)4(13(14)15)1-5(9)12-3/h1,7H,2H2
InChIKeyBBXAFKJRWNIBAI-UHFFFAOYSA-N
MW257.02 g/mol
LogP3.32
Rot. Bonds3

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

6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine (PubChem CID 130074723) has the molecular formula C7H4Cl2F2N2O2 and a molecular weight of 257.02 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine.

Molecular Properties

Compound Name6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine
PubChem CID130074723
Molecular FormulaC7H4Cl2F2N2O2
Molecular Weight257.02 g/mol
Exact Mass255.96
IUPAC Name6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)nc(CCl)c1C(F)F
InChIInChI=1S/C7H4Cl2F2N2O2/c8-2-3-6(7(10)11)4(13(14)15)1-5(9)12-3/h1,7H,2H2
InChIKeyBBXAFKJRWNIBAI-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

[6-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanamine
CID 118831501
2,6-dichloro-3-(difluoromethyl)-4-nitropyridine
CID 119017807
2-(chloromethyl)-3-(difluoromethyl)-4-fluoro-6-nitropyridine
CID 118804420
2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
CID 119007926
6-chloro-2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbonitrile
CID 130071179
[6-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130069859
2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine
CID 118994549
2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
CID 119020031
2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine
CID 118838108
2-(chloromethyl)-6-(difluoromethyl)-5-nitropyridin-3-ol
CID 118832842
6-(chloromethyl)-5-(difluoromethyl)-4-nitro-1H-pyridin-2-one
CID 118843765
[3-(difluoromethyl)-6-methoxy-4-nitro-2-pyridinyl]methanol
CID 133100033

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine?
The IUPAC name of 6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine (CID 130074723) is 6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine.
What is the SMILES notation for 6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine?
The canonical SMILES for 6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine is O=[N+]([O-])c1cc(Cl)nc(CCl)c1C(F)F.
What is the InChIKey of 6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine?
The InChIKey is BBXAFKJRWNIBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2N2O2/c8-2-3-6(7(10)11)4(13(14)15)1-5(9)12-3/h1,7H,2H2.
What are the key properties of 6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine?
6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-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 6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine is sourced from PubChem (CID 130074723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).