3-(chloromethyl)-5-methyl-4-nitro-2-(trifluoromethoxy)pyridine

C8H6ClF3N2O3 — CID 134662232

IUPAC3-(chloromethyl)-5-methyl-4-nitro-2-(trifluoromethoxy)pyridine
SMILESCc1cnc(OC(F)(F)F)c(CCl)c1[N+](=O)[O-]
InChIInChI=1S/C8H6ClF3N2O3/c1-4-3-13-7(17-8(10,11)12)5(2-9)6(4)14(15)16/h3H,2H2,1H3
InChIKeyKJTOJGHBHWHCLX-UHFFFAOYSA-N
MW270.59 g/mol
LogP2.94
Rot. Bonds3

About 3-(chloromethyl)-5-methyl-4-nitro-2-(trifluoromethoxy)pyridine

3-(chloromethyl)-5-methyl-4-nitro-2-(trifluoromethoxy)pyridine (PubChem CID 134662232) has the molecular formula C8H6ClF3N2O3 and a molecular weight of 270.59 g/mol. Its IUPAC name is 3-(chloromethyl)-5-methyl-4-nitro-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-5-methyl-4-nitro-2-(trifluoromethoxy)pyridine
PubChem CID134662232
Molecular FormulaC8H6ClF3N2O3
Molecular Weight270.59 g/mol
Exact Mass270.00
IUPAC Name3-(chloromethyl)-5-methyl-4-nitro-2-(trifluoromethoxy)pyridine
SMILESCc1cnc(OC(F)(F)F)c(CCl)c1[N+](=O)[O-]
InChIInChI=1S/C8H6ClF3N2O3/c1-4-3-13-7(17-8(10,11)12)5(2-9)6(4)14(15)16/h3H,2H2,1H3
InChIKeyKJTOJGHBHWHCLX-UHFFFAOYSA-N
XLogP2.94
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.59
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 130111832
4-(chloromethyl)-3-methoxy-5-nitro-2-(trifluoromethoxy)pyridine
CID 134681996
[5-iodo-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134676231
[2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134682011
5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine
CID 134666993
ethyl 2-[5-hydroxy-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134666685
5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134682378
[2-methoxy-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134670161
2-[5-fluoro-4-nitro-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134663173
6-(chloromethyl)-4-methoxy-3-nitro-2-(trifluoromethoxy)pyridine
CID 134670317
ethyl 2-[5-methoxy-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134662679
methyl 2-[4-methyl-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668887

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-5-methyl-4-nitro-2-(trifluoromethoxy)pyridine?
The IUPAC name of 3-(chloromethyl)-5-methyl-4-nitro-2-(trifluoromethoxy)pyridine (CID 134662232) is 3-(chloromethyl)-5-methyl-4-nitro-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-(chloromethyl)-5-methyl-4-nitro-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-(chloromethyl)-5-methyl-4-nitro-2-(trifluoromethoxy)pyridine is Cc1cnc(OC(F)(F)F)c(CCl)c1[N+](=O)[O-].
What is the InChIKey of 3-(chloromethyl)-5-methyl-4-nitro-2-(trifluoromethoxy)pyridine?
The InChIKey is KJTOJGHBHWHCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O3/c1-4-3-13-7(17-8(10,11)12)5(2-9)6(4)14(15)16/h3H,2H2,1H3.
What are the key properties of 3-(chloromethyl)-5-methyl-4-nitro-2-(trifluoromethoxy)pyridine?
3-(chloromethyl)-5-methyl-4-nitro-2-(trifluoromethoxy)pyridine has a molecular weight of 270.59 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5-methyl-4-nitro-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134662232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).