2-chloro-4-(2-chloroethoxy)-6-methoxy-1,3,5-triazine

C6H7Cl2N3O2 — CID 88729764

IUPAC2-chloro-4-(2-chloroethoxy)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(OCCCl)n1
InChIInChI=1S/C6H7Cl2N3O2/c1-12-5-9-4(8)10-6(11-5)13-3-2-7/h2-3H2,1H3
InChIKeyUJYZQHOGHVXDPW-UHFFFAOYSA-N
MW224.05 g/mol
LogP1.15
Rot. Bonds4

About 2-chloro-4-(2-chloroethoxy)-6-methoxy-1,3,5-triazine

2-chloro-4-(2-chloroethoxy)-6-methoxy-1,3,5-triazine (PubChem CID 88729764) has the molecular formula C6H7Cl2N3O2 and a molecular weight of 224.05 g/mol. Its IUPAC name is 2-chloro-4-(2-chloroethoxy)-6-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2-chloroethoxy)-6-methoxy-1,3,5-triazine
PubChem CID88729764
Molecular FormulaC6H7Cl2N3O2
Molecular Weight224.05 g/mol
Exact Mass222.99
IUPAC Name2-chloro-4-(2-chloroethoxy)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(OCCCl)n1
InChIInChI=1S/C6H7Cl2N3O2/c1-12-5-9-4(8)10-6(11-5)13-3-2-7/h2-3H2,1H3
InChIKeyUJYZQHOGHVXDPW-UHFFFAOYSA-N
XLogP1.15
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.05
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dichloro-6-ethoxy-1,3,5-triazine
CID 29035
2,4-Dichloro-6-propoxy-1,3,5-triazine
CID 33570
2-Chloro-4,6-diethoxy-1,3,5-triazine
CID 35649
2,4,6-Tris(2-chloroethoxy)-1,3,5-triazine
CID 13742
2-(2-Chloroethoxy)-4,6-dichloro-symm-triazine
CID 12591581
2,4-Dichloro-6-(2-methoxyethoxy)-1,3,5-triazine
CID 19026146
2-(2-Chloroethoxy)-4,6-dimethoxy-1,3,5-triazine
CID 3638442
4-(2-Chloroethoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 598520
4-(2-Chloroethoxy)-6-ethoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 23268774
2-Chloro-4-ethoxy-6-methoxy-1,3,5-triazine
CID 19010699
2,4-Dichloro-6-(2,2,2-trichloroethoxy)-1,3,5-triazine
CID 54452872
CID 60126216
CID 60126216

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-chloroethoxy)-6-methoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2-chloroethoxy)-6-methoxy-1,3,5-triazine (CID 88729764) is 2-chloro-4-(2-chloroethoxy)-6-methoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2-chloroethoxy)-6-methoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2-chloroethoxy)-6-methoxy-1,3,5-triazine is COc1nc(Cl)nc(OCCCl)n1.
What is the InChIKey of 2-chloro-4-(2-chloroethoxy)-6-methoxy-1,3,5-triazine?
The InChIKey is UJYZQHOGHVXDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N3O2/c1-12-5-9-4(8)10-6(11-5)13-3-2-7/h2-3H2,1H3.
What are the key properties of 2-chloro-4-(2-chloroethoxy)-6-methoxy-1,3,5-triazine?
2-chloro-4-(2-chloroethoxy)-6-methoxy-1,3,5-triazine has a molecular weight of 224.05 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-chloroethoxy)-6-methoxy-1,3,5-triazine is sourced from PubChem (CID 88729764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).