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

C8H7ClF2N2O2 — CID 130088256

IUPAC3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-nitropyridine
SMILESCc1cc(C(F)F)nc([N+](=O)[O-])c1CCl
InChIInChI=1S/C8H7ClF2N2O2/c1-4-2-6(7(10)11)12-8(13(14)15)5(4)3-9/h2,7H,3H2,1H3
InChIKeyHRDLTILCXHZQPM-UHFFFAOYSA-N
MW236.60 g/mol
LogP2.97
Rot. Bonds3

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

3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-nitropyridine (PubChem CID 130088256) has the molecular formula C8H7ClF2N2O2 and a molecular weight of 236.60 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-nitropyridine.

Molecular Properties

Compound Name3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-nitropyridine
PubChem CID130088256
Molecular FormulaC8H7ClF2N2O2
Molecular Weight236.60 g/mol
Exact Mass236.02
IUPAC Name3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-nitropyridine
SMILESCc1cc(C(F)F)nc([N+](=O)[O-])c1CCl
InChIInChI=1S/C8H7ClF2N2O2/c1-4-2-6(7(10)11)12-8(13(14)15)5(4)3-9/h2,7H,3H2,1H3
InChIKeyHRDLTILCXHZQPM-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

3-(chloromethyl)-6-(difluoromethyl)-4-iodo-2-nitropyridine
CID 130086628
3,4-dichloro-6-(difluoromethyl)-2-nitropyridine
CID 130099273
2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 130090638
5-(chloromethyl)-3-(difluoromethyl)-2-methyl-6-nitropyridine
CID 130088240
2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile
CID 130090400
2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine
CID 118838108
3-(chloromethyl)-2-(difluoromethyl)-6-methyl-4-nitropyridine
CID 130088228
methyl 2-[6-(difluoromethyl)-4-fluoro-2-nitro-3-pyridinyl]acetate
CID 133105138
[6-(difluoromethyl)-3-iodo-2-nitro-4-pyridinyl]methanamine
CID 118817999
2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine
CID 119013891
2-(difluoromethyl)-6-methyl-4-nitropyridine
CID 118831929
6-(difluoromethyl)-2,3-dimethyl-4-nitropyridine
CID 130101216

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-nitropyridine?
The IUPAC name of 3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-nitropyridine (CID 130088256) is 3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-nitropyridine.
What is the SMILES notation for 3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-nitropyridine?
The canonical SMILES for 3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-nitropyridine is Cc1cc(C(F)F)nc([N+](=O)[O-])c1CCl.
What is the InChIKey of 3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-nitropyridine?
The InChIKey is HRDLTILCXHZQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O2/c1-4-2-6(7(10)11)12-8(13(14)15)5(4)3-9/h2,7H,3H2,1H3.
What are the key properties of 3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-nitropyridine?
3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-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 3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-nitropyridine is sourced from PubChem (CID 130088256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).