1,2,4,5-tetradeuterio-3-methoxy-6-nitrosobenzene

C7H7NO2 — CID 10261185

IUPAC1,2,4,5-tetradeuterio-3-methoxy-6-nitrosobenzene
SMILES[2H]c1c([2H])c(OC)c([2H])c([2H])c1N=O
InChIInChI=1S/C7H7NO2/c1-10-7-4-2-6(8-9)3-5-7/h2-5H,1H3/i2D,3D,4D,5D
InChIKeyRIOSDPIZGIWNMS-QFFDRWTDSA-N
MW141.16 g/mol
LogP2.09
Rot. Bonds2

About 1,2,4,5-tetradeuterio-3-methoxy-6-nitrosobenzene

1,2,4,5-tetradeuterio-3-methoxy-6-nitrosobenzene (PubChem CID 10261185) has the molecular formula C7H7NO2 and a molecular weight of 141.16 g/mol. Its IUPAC name is 1,2,4,5-tetradeuterio-3-methoxy-6-nitrosobenzene.

Molecular Properties

Compound Name1,2,4,5-tetradeuterio-3-methoxy-6-nitrosobenzene
PubChem CID10261185
Molecular FormulaC7H7NO2
Molecular Weight141.16 g/mol
Exact Mass141.07
IUPAC Name1,2,4,5-tetradeuterio-3-methoxy-6-nitrosobenzene
SMILES[2H]c1c([2H])c(OC)c([2H])c([2H])c1N=O
InChIInChI=1S/C7H7NO2/c1-10-7-4-2-6(8-9)3-5-7/h2-5H,1H3/i2D,3D,4D,5D
InChIKeyRIOSDPIZGIWNMS-QFFDRWTDSA-N
XLogP2.09
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.16
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

formyl chloride;1-methoxy-4-nitrosobenzene
CID 178153567
1,2,4,5-tetradeuterio-3,6-bis(trideuteriomethoxy)benzene
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(2,3,5,6-tetradeuterio-4-methoxyphenyl)boronic acid
CID 162422450
N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide
CID 165036392
(4-methoxyphenyl) nitrite
CID 118559618
N-(2,3-dideuterio-4-methoxyphenyl)acetamide
CID 167581919
5,6,8-trideuterio-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 89201048
2-methoxy-4-nitrosopyridine
CID 178043573
1-deuterio-3,5-dimethoxybenzene
CID 102137125
2-(4-methoxyphenyl)iminoacetic acid
CID 21289850
trimethoxy-(4-nitrosophenyl)silane
CID 57104054
1-deuterio-2-methoxy-4-methylbenzene
CID 59977107

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetradeuterio-3-methoxy-6-nitrosobenzene?
The IUPAC name of 1,2,4,5-tetradeuterio-3-methoxy-6-nitrosobenzene (CID 10261185) is 1,2,4,5-tetradeuterio-3-methoxy-6-nitrosobenzene.
What is the SMILES notation for 1,2,4,5-tetradeuterio-3-methoxy-6-nitrosobenzene?
The canonical SMILES for 1,2,4,5-tetradeuterio-3-methoxy-6-nitrosobenzene is [2H]c1c([2H])c(OC)c([2H])c([2H])c1N=O.
What is the InChIKey of 1,2,4,5-tetradeuterio-3-methoxy-6-nitrosobenzene?
The InChIKey is RIOSDPIZGIWNMS-QFFDRWTDSA-N. The full InChI is InChI=1S/C7H7NO2/c1-10-7-4-2-6(8-9)3-5-7/h2-5H,1H3/i2D,3D,4D,5D.
What are the key properties of 1,2,4,5-tetradeuterio-3-methoxy-6-nitrosobenzene?
1,2,4,5-tetradeuterio-3-methoxy-6-nitrosobenzene has a molecular weight of 141.16 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetradeuterio-3-methoxy-6-nitrosobenzene is sourced from PubChem (CID 10261185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).