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

C8H7ClF2N2O2 — CID 130088228

IUPAC3-(chloromethyl)-2-(difluoromethyl)-6-methyl-4-nitropyridine
SMILESCc1cc([N+](=O)[O-])c(CCl)c(C(F)F)n1
InChIInChI=1S/C8H7ClF2N2O2/c1-4-2-6(13(14)15)5(3-9)7(12-4)8(10)11/h2,8H,3H2,1H3
InChIKeyWGTMKZXQJLTVOS-UHFFFAOYSA-N
MW236.60 g/mol
LogP2.97
Rot. Bonds3

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

3-(chloromethyl)-2-(difluoromethyl)-6-methyl-4-nitropyridine (PubChem CID 130088228) has the molecular formula C8H7ClF2N2O2 and a molecular weight of 236.60 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(difluoromethyl)-6-methyl-4-nitropyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(difluoromethyl)-6-methyl-4-nitropyridine
PubChem CID130088228
Molecular FormulaC8H7ClF2N2O2
Molecular Weight236.60 g/mol
Exact Mass236.02
IUPAC Name3-(chloromethyl)-2-(difluoromethyl)-6-methyl-4-nitropyridine
SMILESCc1cc([N+](=O)[O-])c(CCl)c(C(F)F)n1
InChIInChI=1S/C8H7ClF2N2O2/c1-4-2-6(13(14)15)5(3-9)7(12-4)8(10)11/h2,8H,3H2,1H3
InChIKeyWGTMKZXQJLTVOS-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

2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine
CID 118994549
5-(chloromethyl)-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130081475
3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-nitropyridine
CID 130086601
3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-nitropyridine
CID 130088256
4-(chloromethyl)-2-(difluoromethyl)-3-iodo-5-nitropyridine
CID 130086614
6-(chloromethyl)-2-(difluoromethyl)-3-iodo-4-nitropyridine
CID 130086595
[6-bromo-2-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
CID 130069861
2-(chloromethyl)-6-(difluoromethyl)-5-nitropyridin-3-ol
CID 118832842
2-(difluoromethyl)-6-fluoro-3-methyl-4-nitropyridine
CID 118803582
5-(chloromethyl)-3-(difluoromethyl)-2-methyl-6-nitropyridine
CID 130088240
6-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine
CID 130069111
6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine
CID 130074723

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(difluoromethyl)-6-methyl-4-nitropyridine?
The IUPAC name of 3-(chloromethyl)-2-(difluoromethyl)-6-methyl-4-nitropyridine (CID 130088228) is 3-(chloromethyl)-2-(difluoromethyl)-6-methyl-4-nitropyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(difluoromethyl)-6-methyl-4-nitropyridine?
The canonical SMILES for 3-(chloromethyl)-2-(difluoromethyl)-6-methyl-4-nitropyridine is Cc1cc([N+](=O)[O-])c(CCl)c(C(F)F)n1.
What is the InChIKey of 3-(chloromethyl)-2-(difluoromethyl)-6-methyl-4-nitropyridine?
The InChIKey is WGTMKZXQJLTVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O2/c1-4-2-6(13(14)15)5(3-9)7(12-4)8(10)11/h2,8H,3H2,1H3.
What are the key properties of 3-(chloromethyl)-2-(difluoromethyl)-6-methyl-4-nitropyridine?
3-(chloromethyl)-2-(difluoromethyl)-6-methyl-4-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)-2-(difluoromethyl)-6-methyl-4-nitropyridine is sourced from PubChem (CID 130088228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).