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

C10H6Cl2N4O3 — CID 114252491

IUPAC2,4-dichloro-6-(4-methyl-3-nitrophenoxy)-1,3,5-triazine
SMILESCc1ccc(Oc2nc(Cl)nc(Cl)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H6Cl2N4O3/c1-5-2-3-6(4-7(5)16(17)18)19-10-14-8(11)13-9(12)15-10/h2-4H,1H3
InChIKeyPFVXRDFWLRQFEX-UHFFFAOYSA-N
MW301.09 g/mol
LogP3.19
Rot. Bonds3

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

2,4-dichloro-6-(4-methyl-3-nitrophenoxy)-1,3,5-triazine (PubChem CID 114252491) has the molecular formula C10H6Cl2N4O3 and a molecular weight of 301.09 g/mol. Its IUPAC name is 2,4-dichloro-6-(4-methyl-3-nitrophenoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(4-methyl-3-nitrophenoxy)-1,3,5-triazine
PubChem CID114252491
Molecular FormulaC10H6Cl2N4O3
Molecular Weight301.09 g/mol
Exact Mass299.98
IUPAC Name2,4-dichloro-6-(4-methyl-3-nitrophenoxy)-1,3,5-triazine
SMILESCc1ccc(Oc2nc(Cl)nc(Cl)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H6Cl2N4O3/c1-5-2-3-6(4-7(5)16(17)18)19-10-14-8(11)13-9(12)15-10/h2-4H,1H3
InChIKeyPFVXRDFWLRQFEX-UHFFFAOYSA-N
XLogP3.19
TPSA91.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.09
LogP ≤ 53.19
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

2,4-dichloro-6-(3-chloro-4-nitrophenoxy)-1,3,5-triazine
CID 62857419
2-chloro-4-methoxy-6-(3-methyl-4-nitrophenoxy)-1,3,5-triazine
CID 62858305
2,4-dichloro-6-(2,5-dimethyl-4-nitrophenoxy)-1,3,5-triazine
CID 63180759
4-chloro-N-methyl-6-(3-methyl-4-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80870763
4-chloro-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
CID 103202386
4-chloro-6-(3-fluoro-4-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80873471
2-(3-chloro-4-nitrophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 4649042
2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine
CID 107499610
4-[3-(chloromethyl)phenoxy]-1-methyl-2-nitrobenzene
CID 114252508
1-methyl-2-nitro-4-propan-2-yloxybenzene
CID 68969048
2-chloro-4-(2-fluoro-5-methyl-4-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 114416610
4-chloro-6-(5-methoxy-2-nitrophenoxy)-1,3,5-triazin-2-amine
CID 102703874

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(4-methyl-3-nitrophenoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(4-methyl-3-nitrophenoxy)-1,3,5-triazine (CID 114252491) is 2,4-dichloro-6-(4-methyl-3-nitrophenoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(4-methyl-3-nitrophenoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(4-methyl-3-nitrophenoxy)-1,3,5-triazine is Cc1ccc(Oc2nc(Cl)nc(Cl)n2)cc1[N+](=O)[O-].
What is the InChIKey of 2,4-dichloro-6-(4-methyl-3-nitrophenoxy)-1,3,5-triazine?
The InChIKey is PFVXRDFWLRQFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N4O3/c1-5-2-3-6(4-7(5)16(17)18)19-10-14-8(11)13-9(12)15-10/h2-4H,1H3.
What are the key properties of 2,4-dichloro-6-(4-methyl-3-nitrophenoxy)-1,3,5-triazine?
2,4-dichloro-6-(4-methyl-3-nitrophenoxy)-1,3,5-triazine has a molecular weight of 301.09 g/mol, XLogP of 3.19, 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-(4-methyl-3-nitrophenoxy)-1,3,5-triazine is sourced from PubChem (CID 114252491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).