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

C7H4Cl2F2N2O2 — CID 130074733

IUPAC5-chloro-4-(chloromethyl)-3-(difluoromethyl)-2-nitropyridine
SMILESO=[N+]([O-])c1ncc(Cl)c(CCl)c1C(F)F
InChIInChI=1S/C7H4Cl2F2N2O2/c8-1-3-4(9)2-12-7(13(14)15)5(3)6(10)11/h2,6H,1H2
InChIKeyAVIKFNYGALTRGC-UHFFFAOYSA-N
MW257.02 g/mol
LogP3.32
Rot. Bonds3

About 5-chloro-4-(chloromethyl)-3-(difluoromethyl)-2-nitropyridine

5-chloro-4-(chloromethyl)-3-(difluoromethyl)-2-nitropyridine (PubChem CID 130074733) has the molecular formula C7H4Cl2F2N2O2 and a molecular weight of 257.02 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-3-(difluoromethyl)-2-nitropyridine.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-3-(difluoromethyl)-2-nitropyridine
PubChem CID130074733
Molecular FormulaC7H4Cl2F2N2O2
Molecular Weight257.02 g/mol
Exact Mass255.96
IUPAC Name5-chloro-4-(chloromethyl)-3-(difluoromethyl)-2-nitropyridine
SMILESO=[N+]([O-])c1ncc(Cl)c(CCl)c1C(F)F
InChIInChI=1S/C7H4Cl2F2N2O2/c8-1-3-4(9)2-12-7(13(14)15)5(3)6(10)11/h2,6H,1H2
InChIKeyAVIKFNYGALTRGC-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

4-(chloromethyl)-3-(difluoromethyl)-5-iodo-2-nitropyridine
CID 118807283
3-(chloromethyl)-4-(difluoromethyl)-5-iodo-2-nitropyridine
CID 130086604
5-(chloromethyl)-3-(difluoromethyl)-4-fluoro-2-nitropyridine
CID 130081457
5-bromo-4-chloro-3-(difluoromethyl)-2-nitropyridine
CID 130107987
5-(chloromethyl)-4-(difluoromethyl)-2-nitropyridin-3-amine
CID 130106874
5-(chloromethyl)-3-(difluoromethyl)-4-methoxy-2-nitropyridine
CID 130088105
4-chloro-5-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride
CID 131446510
4-(cyanomethyl)-5-(difluoromethyl)-6-nitropyridine-3-carbonitrile
CID 133107364
2-[3-(difluoromethyl)-5-fluoro-2-nitro-4-pyridinyl]acetonitrile
CID 133105093
5-bromo-3-chloro-4-(difluoromethyl)-2-nitropyridine
CID 130107993
3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine
CID 130079937
5-chloro-4-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride
CID 131446496

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-3-(difluoromethyl)-2-nitropyridine?
The IUPAC name of 5-chloro-4-(chloromethyl)-3-(difluoromethyl)-2-nitropyridine (CID 130074733) is 5-chloro-4-(chloromethyl)-3-(difluoromethyl)-2-nitropyridine.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-3-(difluoromethyl)-2-nitropyridine?
The canonical SMILES for 5-chloro-4-(chloromethyl)-3-(difluoromethyl)-2-nitropyridine is O=[N+]([O-])c1ncc(Cl)c(CCl)c1C(F)F.
What is the InChIKey of 5-chloro-4-(chloromethyl)-3-(difluoromethyl)-2-nitropyridine?
The InChIKey is AVIKFNYGALTRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2N2O2/c8-1-3-4(9)2-12-7(13(14)15)5(3)6(10)11/h2,6H,1H2.
What are the key properties of 5-chloro-4-(chloromethyl)-3-(difluoromethyl)-2-nitropyridine?
5-chloro-4-(chloromethyl)-3-(difluoromethyl)-2-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 5-chloro-4-(chloromethyl)-3-(difluoromethyl)-2-nitropyridine is sourced from PubChem (CID 130074733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).