2,4-dichloro-6-(chloromethoxy)-1,3,5-triazine

C4H2Cl3N3O — CID 19104339

IUPAC2,4-dichloro-6-(chloromethoxy)-1,3,5-triazine
SMILESClCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C4H2Cl3N3O/c5-1-11-4-9-2(6)8-3(7)10-4/h1H2
InChIKeyVJBZXYUGPKEIAN-UHFFFAOYSA-N
MW214.44 g/mol
LogP1.75
Rot. Bonds2

About 2,4-dichloro-6-(chloromethoxy)-1,3,5-triazine

2,4-dichloro-6-(chloromethoxy)-1,3,5-triazine (PubChem CID 19104339) has the molecular formula C4H2Cl3N3O and a molecular weight of 214.44 g/mol. Its IUPAC name is 2,4-dichloro-6-(chloromethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(chloromethoxy)-1,3,5-triazine
PubChem CID19104339
Molecular FormulaC4H2Cl3N3O
Molecular Weight214.44 g/mol
Exact Mass212.93
IUPAC Name2,4-dichloro-6-(chloromethoxy)-1,3,5-triazine
SMILESClCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C4H2Cl3N3O/c5-1-11-4-9-2(6)8-3(7)10-4/h1H2
InChIKeyVJBZXYUGPKEIAN-UHFFFAOYSA-N
XLogP1.75
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.44
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-4,6-dimethoxy-1,3,5-triazine
CID 18450
2,4-Dichloro-6-methoxy-3,5-triazine
CID 19267
2-(Chloromethoxy)-4,6-difluoro-1,3,5-triazine
CID 151848599
4,6-Dichloro-1,3,5-triazin-2-olate
CID 22016327
2,4-Dichloro-6-(difluoromethoxy)-1,3,5-triazine
CID 133057461
2,4-Dichloro-6-(trichloromethoxy)-1,3,5-triazine
CID 10945952
Sodium 4-chloro-6-methoxy-1,3,5-triazin-2-olate
CID 23684025
CID 58766103
CID 58766103
4-Chloro-6-methoxy-1,3,5-triazin-2-olate
CID 60095569
2,4-Dichloro-6-methylchloranuidyl-1,3,5-triazine
CID 142023588
2,4-Dichloro-6-methoxychloranuidyl-1,3,5-triazine
CID 154414829
(4,6-Dimethoxy-1,3,5-triazin-2-yl)chloranium
CID 156663709

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(chloromethoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(chloromethoxy)-1,3,5-triazine (CID 19104339) is 2,4-dichloro-6-(chloromethoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(chloromethoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(chloromethoxy)-1,3,5-triazine is ClCOc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(chloromethoxy)-1,3,5-triazine?
The InChIKey is VJBZXYUGPKEIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl3N3O/c5-1-11-4-9-2(6)8-3(7)10-4/h1H2.
What are the key properties of 2,4-dichloro-6-(chloromethoxy)-1,3,5-triazine?
2,4-dichloro-6-(chloromethoxy)-1,3,5-triazine has a molecular weight of 214.44 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(chloromethoxy)-1,3,5-triazine is sourced from PubChem (CID 19104339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).