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

C10H6Cl2N4O4 — CID 62859158

IUPAC2-chloro-4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(Oc2cc(Cl)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C10H6Cl2N4O4/c1-19-9-13-8(12)14-10(15-9)20-7-4-5(11)2-3-6(7)16(17)18/h2-4H,1H3
InChIKeyGEXVEYKBFLAVJM-UHFFFAOYSA-N
MW317.09 g/mol
LogP2.89
Rot. Bonds4

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

2-chloro-4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine (PubChem CID 62859158) has the molecular formula C10H6Cl2N4O4 and a molecular weight of 317.09 g/mol. Its IUPAC name is 2-chloro-4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
PubChem CID62859158
Molecular FormulaC10H6Cl2N4O4
Molecular Weight317.09 g/mol
Exact Mass315.98
IUPAC Name2-chloro-4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(Oc2cc(Cl)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C10H6Cl2N4O4/c1-19-9-13-8(12)14-10(15-9)20-7-4-5(11)2-3-6(7)16(17)18/h2-4H,1H3
InChIKeyGEXVEYKBFLAVJM-UHFFFAOYSA-N
XLogP2.89
TPSA100.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.09
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(4-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 62859653
[4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80920555
4-chloro-6-(5-methoxy-2-nitrophenoxy)-1,3,5-triazin-2-amine
CID 102703874
2-chloro-4-(2-fluoro-5-methyl-4-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 114416610
2-chloro-4-methoxy-6-(3-methyl-4-nitrophenoxy)-1,3,5-triazine
CID 62858305
2-chloro-6-(5-chloro-2-nitrophenoxy)-7H-purine
CID 104787001
2-(3-chloro-4-nitrophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 4649042
4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80860682
2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine
CID 107499610
[4-methoxy-6-(5-methyl-2-nitrophenoxy)-1,3,5-triazin-2-yl]hydrazine
CID 80912368
2-chloro-6-(5-chloro-2-nitrophenoxy)pyridine
CID 63587633
4-bromo-2-(5-chloro-2-nitrophenoxy)-1,3-thiazole
CID 79399235

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine (CID 62859158) is 2-chloro-4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine is COc1nc(Cl)nc(Oc2cc(Cl)ccc2[N+](=O)[O-])n1.
What is the InChIKey of 2-chloro-4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine?
The InChIKey is GEXVEYKBFLAVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N4O4/c1-19-9-13-8(12)14-10(15-9)20-7-4-5(11)2-3-6(7)16(17)18/h2-4H,1H3.
What are the key properties of 2-chloro-4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine?
2-chloro-4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine has a molecular weight of 317.09 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine is sourced from PubChem (CID 62859158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).