2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine

C8H6ClF3N2O4 — CID 118832466

IUPAC2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine
SMILESCOc1cc([N+](=O)[O-])c(OC(F)(F)F)c(CCl)n1
InChIInChI=1S/C8H6ClF3N2O4/c1-17-6-2-5(14(15)16)7(4(3-9)13-6)18-8(10,11)12/h2H,3H2,1H3
InChIKeyFVMMVHYUUGHTAO-UHFFFAOYSA-N
MW286.59 g/mol
LogP2.64
Rot. Bonds4

About 2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine

2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine (PubChem CID 118832466) has the molecular formula C8H6ClF3N2O4 and a molecular weight of 286.59 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine
PubChem CID118832466
Molecular FormulaC8H6ClF3N2O4
Molecular Weight286.59 g/mol
Exact Mass286.00
IUPAC Name2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine
SMILESCOc1cc([N+](=O)[O-])c(OC(F)(F)F)c(CCl)n1
InChIInChI=1S/C8H6ClF3N2O4/c1-17-6-2-5(14(15)16)7(4(3-9)13-6)18-8(10,11)12/h2H,3H2,1H3
InChIKeyFVMMVHYUUGHTAO-UHFFFAOYSA-N
XLogP2.64
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.59
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(chloromethyl)-3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine
CID 118826839
2-(fluoromethyl)-6-methyl-4-nitro-3-(trifluoromethoxy)pyridine
CID 118826412
2-[2-(chloromethyl)-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118821184
2-(chloromethyl)-4-iodo-6-nitro-3-(trifluoromethoxy)pyridine
CID 118809105
2-(chloromethyl)-6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 130113375
6-(chloromethyl)-4-methoxy-2-nitro-3-(trifluoromethoxy)pyridine
CID 134660622
6-methoxy-4-nitro-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134670303
6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 118838420
ethyl 3-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668250
2-[6-methoxy-2-nitro-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134670329
[3-(difluoromethyl)-6-methoxy-4-nitro-2-pyridinyl]methanol
CID 133100033
4-(chloromethyl)-3-methoxy-5-nitro-2-(trifluoromethoxy)pyridine
CID 134681996

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine?
The IUPAC name of 2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine (CID 118832466) is 2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine is COc1cc([N+](=O)[O-])c(OC(F)(F)F)c(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine?
The InChIKey is FVMMVHYUUGHTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O4/c1-17-6-2-5(14(15)16)7(4(3-9)13-6)18-8(10,11)12/h2H,3H2,1H3.
What are the key properties of 2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine?
2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine has a molecular weight of 286.59 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118832466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).