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

C7H4Cl2F2N2O2 — CID 130074727

IUPAC3-chloro-2-(chloromethyl)-5-(difluoromethyl)-6-nitropyridine
SMILESO=[N+]([O-])c1nc(CCl)c(Cl)cc1C(F)F
InChIInChI=1S/C7H4Cl2F2N2O2/c8-2-5-4(9)1-3(6(10)11)7(12-5)13(14)15/h1,6H,2H2
InChIKeyWGPXCXCCWLCPGO-UHFFFAOYSA-N
MW257.02 g/mol
LogP3.32
Rot. Bonds3

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

3-chloro-2-(chloromethyl)-5-(difluoromethyl)-6-nitropyridine (PubChem CID 130074727) has the molecular formula C7H4Cl2F2N2O2 and a molecular weight of 257.02 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)-5-(difluoromethyl)-6-nitropyridine.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)-5-(difluoromethyl)-6-nitropyridine
PubChem CID130074727
Molecular FormulaC7H4Cl2F2N2O2
Molecular Weight257.02 g/mol
Exact Mass255.96
IUPAC Name3-chloro-2-(chloromethyl)-5-(difluoromethyl)-6-nitropyridine
SMILESO=[N+]([O-])c1nc(CCl)c(Cl)cc1C(F)F
InChIInChI=1S/C7H4Cl2F2N2O2/c8-2-5-4(9)1-3(6(10)11)7(12-5)13(14)15/h1,6H,2H2
InChIKeyWGPXCXCCWLCPGO-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': '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-chloro-3-(difluoromethyl)-6-nitro-2-pyridinyl]methanamine
CID 118808844
2-(chloromethyl)-3-(difluoromethyl)-5-iodo-6-nitropyridine
CID 118826854
2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
CID 119007926
2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
CID 119020031
ethyl 3-chloro-5-(difluoromethyl)-6-nitropyridine-2-carboxylate
CID 134661789
5-(chloromethyl)-3-(difluoromethyl)-2-iodo-6-nitropyridine
CID 130086612
2-[5-(difluoromethyl)-3-iodo-6-nitro-2-pyridinyl]acetic acid
CID 133100937
5-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride
CID 134670979
5-(chloromethyl)-3-(difluoromethyl)-2-methyl-6-nitropyridine
CID 130088240
6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine
CID 130074723
[5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134678874
6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol
CID 130084237

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(chloromethyl)-5-(difluoromethyl)-6-nitropyridine?
The IUPAC name of 3-chloro-2-(chloromethyl)-5-(difluoromethyl)-6-nitropyridine (CID 130074727) is 3-chloro-2-(chloromethyl)-5-(difluoromethyl)-6-nitropyridine.
What is the SMILES notation for 3-chloro-2-(chloromethyl)-5-(difluoromethyl)-6-nitropyridine?
The canonical SMILES for 3-chloro-2-(chloromethyl)-5-(difluoromethyl)-6-nitropyridine is O=[N+]([O-])c1nc(CCl)c(Cl)cc1C(F)F.
What is the InChIKey of 3-chloro-2-(chloromethyl)-5-(difluoromethyl)-6-nitropyridine?
The InChIKey is WGPXCXCCWLCPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2N2O2/c8-2-5-4(9)1-3(6(10)11)7(12-5)13(14)15/h1,6H,2H2.
What are the key properties of 3-chloro-2-(chloromethyl)-5-(difluoromethyl)-6-nitropyridine?
3-chloro-2-(chloromethyl)-5-(difluoromethyl)-6-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 3-chloro-2-(chloromethyl)-5-(difluoromethyl)-6-nitropyridine is sourced from PubChem (CID 130074727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).