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

C11H8Cl2N4O3 — CID 63180759

IUPAC2,4-dichloro-6-(2,5-dimethyl-4-nitrophenoxy)-1,3,5-triazine
SMILESCc1cc([N+](=O)[O-])c(C)cc1Oc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H8Cl2N4O3/c1-5-4-8(6(2)3-7(5)17(18)19)20-11-15-9(12)14-10(13)16-11/h3-4H,1-2H3
InChIKeyPSCIQRGXNXIYPM-UHFFFAOYSA-N
MW315.12 g/mol
LogP3.50
Rot. Bonds3

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

2,4-dichloro-6-(2,5-dimethyl-4-nitrophenoxy)-1,3,5-triazine (PubChem CID 63180759) has the molecular formula C11H8Cl2N4O3 and a molecular weight of 315.12 g/mol. Its IUPAC name is 2,4-dichloro-6-(2,5-dimethyl-4-nitrophenoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(2,5-dimethyl-4-nitrophenoxy)-1,3,5-triazine
PubChem CID63180759
Molecular FormulaC11H8Cl2N4O3
Molecular Weight315.12 g/mol
Exact Mass314.00
IUPAC Name2,4-dichloro-6-(2,5-dimethyl-4-nitrophenoxy)-1,3,5-triazine
SMILESCc1cc([N+](=O)[O-])c(C)cc1Oc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H8Cl2N4O3/c1-5-4-8(6(2)3-7(5)17(18)19)20-11-15-9(12)14-10(13)16-11/h3-4H,1-2H3
InChIKeyPSCIQRGXNXIYPM-UHFFFAOYSA-N
XLogP3.50
TPSA91.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2-fluoro-5-methyl-4-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 114416610
3,6-dichloro-5-(2,5-dimethyl-4-nitrophenoxy)-1,2,4-triazine
CID 81036467
2,4-dichloro-6-(4-methyl-3-nitrophenoxy)-1,3,5-triazine
CID 114252491
2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine
CID 107499610
6-(2,5-dimethyl-4-nitrophenoxy)-2-methylpyrimidin-4-amine
CID 80879991
5-chloro-4-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-2-amine
CID 80880830
2-chloro-4-methoxy-6-(3-methyl-4-nitrophenoxy)-1,3,5-triazine
CID 62858305
2-chloro-4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 62859158
2-chloro-4-(4-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 62859653
4-chloro-N-methyl-6-(3-methyl-4-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80870763
2,4-dichloro-6-(3-chloro-4-nitrophenoxy)-1,3,5-triazine
CID 62857419
1-(2,5-dimethyl-4-nitrophenoxy)naphthalene
CID 66594066

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(2,5-dimethyl-4-nitrophenoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(2,5-dimethyl-4-nitrophenoxy)-1,3,5-triazine (CID 63180759) is 2,4-dichloro-6-(2,5-dimethyl-4-nitrophenoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(2,5-dimethyl-4-nitrophenoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(2,5-dimethyl-4-nitrophenoxy)-1,3,5-triazine is Cc1cc([N+](=O)[O-])c(C)cc1Oc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(2,5-dimethyl-4-nitrophenoxy)-1,3,5-triazine?
The InChIKey is PSCIQRGXNXIYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O3/c1-5-4-8(6(2)3-7(5)17(18)19)20-11-15-9(12)14-10(13)16-11/h3-4H,1-2H3.
What are the key properties of 2,4-dichloro-6-(2,5-dimethyl-4-nitrophenoxy)-1,3,5-triazine?
2,4-dichloro-6-(2,5-dimethyl-4-nitrophenoxy)-1,3,5-triazine has a molecular weight of 315.12 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(2,5-dimethyl-4-nitrophenoxy)-1,3,5-triazine is sourced from PubChem (CID 63180759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).