2,4-dichloro-6-[(4-nitrophenyl)methoxy]-1,3,5-triazine

C10H6Cl2N4O3 — CID 138975635

IUPAC2,4-dichloro-6-[(4-nitrophenyl)methoxy]-1,3,5-triazine
SMILESO=[N+]([O-])c1ccc(COc2nc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C10H6Cl2N4O3/c11-8-13-9(12)15-10(14-8)19-5-6-1-3-7(4-2-6)16(17)18/h1-4H,5H2
InChIKeyUFILTQISTGPMQT-UHFFFAOYSA-N
MW301.09 g/mol
LogP2.67
Rot. Bonds4

About 2,4-dichloro-6-[(4-nitrophenyl)methoxy]-1,3,5-triazine

2,4-dichloro-6-[(4-nitrophenyl)methoxy]-1,3,5-triazine (PubChem CID 138975635) has the molecular formula C10H6Cl2N4O3 and a molecular weight of 301.09 g/mol. Its IUPAC name is 2,4-dichloro-6-[(4-nitrophenyl)methoxy]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-[(4-nitrophenyl)methoxy]-1,3,5-triazine
PubChem CID138975635
Molecular FormulaC10H6Cl2N4O3
Molecular Weight301.09 g/mol
Exact Mass299.98
IUPAC Name2,4-dichloro-6-[(4-nitrophenyl)methoxy]-1,3,5-triazine
SMILESO=[N+]([O-])c1ccc(COc2nc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C10H6Cl2N4O3/c11-8-13-9(12)15-10(14-8)19-5-6-1-3-7(4-2-6)16(17)18/h1-4H,5H2
InChIKeyUFILTQISTGPMQT-UHFFFAOYSA-N
XLogP2.67
TPSA91.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.09
LogP ≤ 52.67
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

[4-[2-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethoxy]ethoxymethyl]phenyl]-(4-nitrophenyl)methanone
CID 58059720
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
2-chloro-1-nitro-4-[(4-nitrophenyl)methoxy]benzene
CID 78977048
1-methyl-4-[(4-nitrophenoxy)methyl]benzene
CID 824912
2-chloro-4-[(4-chlorophenyl)methoxy]-6-methyl-1,3,5-triazine
CID 145028932
1-nitro-4-(phosphorosooxymethyl)benzene
CID 58371231
1-chloro-2-(chloromethyl)-3-[(4-nitrophenyl)methoxy]benzene
CID 114320815
2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene
CID 66921922
1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene
CID 7707175
3-[(4-nitrophenyl)methoxy]benzene-1,2-diol
CID 139940676
2-[(4-chlorophenyl)methoxy]-4-nitroaniline
CID 15181471
1-benzyl-4-[(4-nitrophenyl)methoxy]benzene
CID 894511

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(4-nitrophenyl)methoxy]-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-[(4-nitrophenyl)methoxy]-1,3,5-triazine (CID 138975635) is 2,4-dichloro-6-[(4-nitrophenyl)methoxy]-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-[(4-nitrophenyl)methoxy]-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-[(4-nitrophenyl)methoxy]-1,3,5-triazine is O=[N+]([O-])c1ccc(COc2nc(Cl)nc(Cl)n2)cc1.
What is the InChIKey of 2,4-dichloro-6-[(4-nitrophenyl)methoxy]-1,3,5-triazine?
The InChIKey is UFILTQISTGPMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N4O3/c11-8-13-9(12)15-10(14-8)19-5-6-1-3-7(4-2-6)16(17)18/h1-4H,5H2.
What are the key properties of 2,4-dichloro-6-[(4-nitrophenyl)methoxy]-1,3,5-triazine?
2,4-dichloro-6-[(4-nitrophenyl)methoxy]-1,3,5-triazine has a molecular weight of 301.09 g/mol, XLogP of 2.67, 4 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-nitrophenyl)methoxy]-1,3,5-triazine is sourced from PubChem (CID 138975635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).