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

C8H7ClF2N2O2 — CID 130088240

IUPAC5-(chloromethyl)-3-(difluoromethyl)-2-methyl-6-nitropyridine
SMILESCc1nc([N+](=O)[O-])c(CCl)cc1C(F)F
InChIInChI=1S/C8H7ClF2N2O2/c1-4-6(7(10)11)2-5(3-9)8(12-4)13(14)15/h2,7H,3H2,1H3
InChIKeyGPXNKJSNSIVPEM-UHFFFAOYSA-N
MW236.60 g/mol
LogP2.97
Rot. Bonds3

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

5-(chloromethyl)-3-(difluoromethyl)-2-methyl-6-nitropyridine (PubChem CID 130088240) has the molecular formula C8H7ClF2N2O2 and a molecular weight of 236.60 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(difluoromethyl)-2-methyl-6-nitropyridine.

Molecular Properties

Compound Name5-(chloromethyl)-3-(difluoromethyl)-2-methyl-6-nitropyridine
PubChem CID130088240
Molecular FormulaC8H7ClF2N2O2
Molecular Weight236.60 g/mol
Exact Mass236.02
IUPAC Name5-(chloromethyl)-3-(difluoromethyl)-2-methyl-6-nitropyridine
SMILESCc1nc([N+](=O)[O-])c(CCl)cc1C(F)F
InChIInChI=1S/C8H7ClF2N2O2/c1-4-6(7(10)11)2-5(3-9)8(12-4)13(14)15/h2,7H,3H2,1H3
InChIKeyGPXNKJSNSIVPEM-UHFFFAOYSA-N
XLogP2.97
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.60
LogP ≤ 52.97
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-(chloromethyl)-3-(difluoromethyl)-2-iodo-6-nitropyridine
CID 130086612
methyl 3-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carboxylate
CID 130090578
5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine
CID 130085938
5-(difluoromethyl)-2-fluoro-6-methyl-3-nitropyridine
CID 130080884
5-(bromomethyl)-3-(difluoromethyl)-2-fluoro-6-nitropyridine
CID 130081415
3-chloro-2-(chloromethyl)-5-(difluoromethyl)-6-nitropyridine
CID 130074727
3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-nitropyridine
CID 130088256
2-(chloromethyl)-3-(difluoromethyl)-5-iodo-6-nitropyridine
CID 118826854
[5-(difluoromethyl)-2-iodo-6-nitro-3-pyridinyl]methanamine
CID 130086516
3-(chloromethyl)-2-(difluoromethyl)-6-methyl-4-nitropyridine
CID 130088228
2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
CID 119020031
ethyl 6-chloro-4-(difluoromethyl)-2-nitropyridine-3-carboxylate
CID 134684758

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-(difluoromethyl)-2-methyl-6-nitropyridine?
The IUPAC name of 5-(chloromethyl)-3-(difluoromethyl)-2-methyl-6-nitropyridine (CID 130088240) is 5-(chloromethyl)-3-(difluoromethyl)-2-methyl-6-nitropyridine.
What is the SMILES notation for 5-(chloromethyl)-3-(difluoromethyl)-2-methyl-6-nitropyridine?
The canonical SMILES for 5-(chloromethyl)-3-(difluoromethyl)-2-methyl-6-nitropyridine is Cc1nc([N+](=O)[O-])c(CCl)cc1C(F)F.
What is the InChIKey of 5-(chloromethyl)-3-(difluoromethyl)-2-methyl-6-nitropyridine?
The InChIKey is GPXNKJSNSIVPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O2/c1-4-6(7(10)11)2-5(3-9)8(12-4)13(14)15/h2,7H,3H2,1H3.
What are the key properties of 5-(chloromethyl)-3-(difluoromethyl)-2-methyl-6-nitropyridine?
5-(chloromethyl)-3-(difluoromethyl)-2-methyl-6-nitropyridine has a molecular weight of 236.60 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-(difluoromethyl)-2-methyl-6-nitropyridine is sourced from PubChem (CID 130088240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).