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

C7H4Cl2F2N2O2 — CID 119013891

IUPAC2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine
SMILESO=[N+]([O-])c1c(CCl)cc(C(F)F)nc1Cl
InChIInChI=1S/C7H4Cl2F2N2O2/c8-2-3-1-4(7(10)11)12-6(9)5(3)13(14)15/h1,7H,2H2
InChIKeyYPMBAAHNEXTGLL-UHFFFAOYSA-N
MW257.02 g/mol
LogP3.32
Rot. Bonds3

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

2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine (PubChem CID 119013891) has the molecular formula C7H4Cl2F2N2O2 and a molecular weight of 257.02 g/mol. Its IUPAC name is 2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine.

Molecular Properties

Compound Name2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine
PubChem CID119013891
Molecular FormulaC7H4Cl2F2N2O2
Molecular Weight257.02 g/mol
Exact Mass255.96
IUPAC Name2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine
SMILESO=[N+]([O-])c1c(CCl)cc(C(F)F)nc1Cl
InChIInChI=1S/C7H4Cl2F2N2O2/c8-2-3-1-4(7(10)11)12-6(9)5(3)13(14)15/h1,7H,2H2
InChIKeyYPMBAAHNEXTGLL-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

4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine-2-carbonitrile
CID 130078657
2-chloro-6-(difluoromethyl)-3-nitropyridine-4-carboxylic acid
CID 119021689
3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine
CID 130108097
2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol
CID 130072471
4-(chloromethyl)-2-(difluoromethyl)-5-nitropyridine
CID 130097922
2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carbaldehyde
CID 118999855
3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075614
2-[2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 118999659
3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-nitropyridine
CID 130088256
3-(chloromethyl)-6-(difluoromethyl)-4-iodo-2-nitropyridine
CID 130086628
2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine
CID 118838108
2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carboxylic acid
CID 119021392

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine?
The IUPAC name of 2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine (CID 119013891) is 2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine.
What is the SMILES notation for 2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine?
The canonical SMILES for 2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine is O=[N+]([O-])c1c(CCl)cc(C(F)F)nc1Cl.
What is the InChIKey of 2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine?
The InChIKey is YPMBAAHNEXTGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2N2O2/c8-2-3-1-4(7(10)11)12-6(9)5(3)13(14)15/h1,7H,2H2.
What are the key properties of 2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine?
2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-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-4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine is sourced from PubChem (CID 119013891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).