2,6-dimethoxy-1,5-dinitrosonaphthalene

C12H10N2O4 — CID 174897734

IUPAC2,6-dimethoxy-1,5-dinitrosonaphthalene
SMILESCOc1ccc2c(N=O)c(OC)ccc2c1N=O
InChIInChI=1S/C12H10N2O4/c1-17-9-5-3-8-7(11(9)13-15)4-6-10(18-2)12(8)14-16/h3-6H,1-2H3
InChIKeyWQWDICMCAHYGCO-UHFFFAOYSA-N
MW246.22 g/mol
LogP3.65
Rot. Bonds4

About 2,6-dimethoxy-1,5-dinitrosonaphthalene

2,6-dimethoxy-1,5-dinitrosonaphthalene (PubChem CID 174897734) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 2,6-dimethoxy-1,5-dinitrosonaphthalene.

Molecular Properties

Compound Name2,6-dimethoxy-1,5-dinitrosonaphthalene
PubChem CID174897734
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name2,6-dimethoxy-1,5-dinitrosonaphthalene
SMILESCOc1ccc2c(N=O)c(OC)ccc2c1N=O
InChIInChI=1S/C12H10N2O4/c1-17-9-5-3-8-7(11(9)13-15)4-6-10(18-2)12(8)14-16/h3-6H,1-2H3
InChIKeyWQWDICMCAHYGCO-UHFFFAOYSA-N
XLogP3.65
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-1,5-dinitrosonaphthalene?
The IUPAC name of 2,6-dimethoxy-1,5-dinitrosonaphthalene (CID 174897734) is 2,6-dimethoxy-1,5-dinitrosonaphthalene.
What is the SMILES notation for 2,6-dimethoxy-1,5-dinitrosonaphthalene?
The canonical SMILES for 2,6-dimethoxy-1,5-dinitrosonaphthalene is COc1ccc2c(N=O)c(OC)ccc2c1N=O.
What is the InChIKey of 2,6-dimethoxy-1,5-dinitrosonaphthalene?
The InChIKey is WQWDICMCAHYGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-17-9-5-3-8-7(11(9)13-15)4-6-10(18-2)12(8)14-16/h3-6H,1-2H3.
What are the key properties of 2,6-dimethoxy-1,5-dinitrosonaphthalene?
2,6-dimethoxy-1,5-dinitrosonaphthalene has a molecular weight of 246.22 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-1,5-dinitrosonaphthalene is sourced from PubChem (CID 174897734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).