2-(chloromethyl)-6-nitro-3-(trifluoromethyl)pyridine

C7H4ClF3N2O2 — CID 131500569

IUPAC2-(chloromethyl)-6-nitro-3-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1ccc(C(F)(F)F)c(CCl)n1
InChIInChI=1S/C7H4ClF3N2O2/c8-3-5-4(7(9,10)11)1-2-6(12-5)13(14)15/h1-2H,3H2
InChIKeyUIZYFLXOGUNGNS-UHFFFAOYSA-N
MW240.57 g/mol
LogP2.75
Rot. Bonds2

About 2-(chloromethyl)-6-nitro-3-(trifluoromethyl)pyridine

2-(chloromethyl)-6-nitro-3-(trifluoromethyl)pyridine (PubChem CID 131500569) has the molecular formula C7H4ClF3N2O2 and a molecular weight of 240.57 g/mol. Its IUPAC name is 2-(chloromethyl)-6-nitro-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-nitro-3-(trifluoromethyl)pyridine
PubChem CID131500569
Molecular FormulaC7H4ClF3N2O2
Molecular Weight240.57 g/mol
Exact Mass239.99
IUPAC Name2-(chloromethyl)-6-nitro-3-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1ccc(C(F)(F)F)c(CCl)n1
InChIInChI=1S/C7H4ClF3N2O2/c8-3-5-4(7(9,10)11)1-2-6(12-5)13(14)15/h1-2H,3H2
InChIKeyUIZYFLXOGUNGNS-UHFFFAOYSA-N
XLogP2.75
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.57
LogP ≤ 52.75
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-methoxy-6-nitro-3-(trifluoromethyl)pyridine
CID 133094984
6-nitro-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 133097281
3-(chloromethyl)-1-methyl-2-nitro-4-(trifluoromethyl)benzene
CID 131370733
2-(chloromethyl)-5-nitro-3-(trifluoromethyl)pyridine
CID 131500572
2-(chloromethyl)-3-(difluoromethyl)-4-fluoro-6-nitropyridine
CID 118804420
3-(chloromethyl)-2-(difluoromethyl)-6-nitropyridine
CID 130097914
2-(chloromethyl)-4-iodo-6-nitro-3-(trifluoromethoxy)pyridine
CID 118809105
2-(chloromethyl)-3-methyl-1-nitro-4-(trifluoromethyl)benzene
CID 131321722
(3-bromo-6-nitro-2-pyridinyl)methanol
CID 130772164
2-chloro-3-fluoro-6-nitropyridine
CID 119018246
1,2-dichloro-3-nitro-4-(trifluoromethyl)benzene
CID 15103062
5-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2-nitropyridine
CID 153379618

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-nitro-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-(chloromethyl)-6-nitro-3-(trifluoromethyl)pyridine (CID 131500569) is 2-(chloromethyl)-6-nitro-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-nitro-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(chloromethyl)-6-nitro-3-(trifluoromethyl)pyridine is O=[N+]([O-])c1ccc(C(F)(F)F)c(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-6-nitro-3-(trifluoromethyl)pyridine?
The InChIKey is UIZYFLXOGUNGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O2/c8-3-5-4(7(9,10)11)1-2-6(12-5)13(14)15/h1-2H,3H2.
What are the key properties of 2-(chloromethyl)-6-nitro-3-(trifluoromethyl)pyridine?
2-(chloromethyl)-6-nitro-3-(trifluoromethyl)pyridine has a molecular weight of 240.57 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-nitro-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 131500569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).