3-methoxy-2-nitrosoaniline;hydrochloride

C7H9ClN2O2 — CID 90401727

IUPAC3-methoxy-2-nitrosoaniline;hydrochloride
SMILESCOc1cccc(N)c1N=O.Cl
InChIInChI=1S/C7H8N2O2.ClH/c1-11-6-4-2-3-5(8)7(6)9-10;/h2-4H,8H2,1H3;1H
InChIKeyVVOOZUUOZRCHMV-UHFFFAOYSA-N
MW188.61 g/mol
LogP2.10
Rot. Bonds2

About 3-methoxy-2-nitrosoaniline;hydrochloride

3-methoxy-2-nitrosoaniline;hydrochloride (PubChem CID 90401727) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 3-methoxy-2-nitrosoaniline;hydrochloride.

Molecular Properties

Compound Name3-methoxy-2-nitrosoaniline;hydrochloride
PubChem CID90401727
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name3-methoxy-2-nitrosoaniline;hydrochloride
SMILESCOc1cccc(N)c1N=O.Cl
InChIInChI=1S/C7H8N2O2.ClH/c1-11-6-4-2-3-5(8)7(6)9-10;/h2-4H,8H2,1H3;1H
InChIKeyVVOOZUUOZRCHMV-UHFFFAOYSA-N
XLogP2.10
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,5-Diaminoanisole
CID 21379
2-Methoxy-4-nitroaniline
CID 7337
4-Methoxy-2-nitroaniline
CID 66793
2,5-Dimethoxyaniline
CID 7613
2,5-Dimethoxynitrobenzene
CID 66639
4-Ethoxy-2-nitroaniline
CID 69229
2,5-Dimethoxy-4-nitroaniline
CID 80581
3-Methoxy-2-nitroaniline
CID 10464700
4-Methoxy-2,3-dinitroaniline
CID 232269
3-Methoxybenzene-1,2-diamine
CID 184268
5-Methoxy-2-nitroaniline
CID 85300
4-Methoxy-o-phenylenediamine
CID 153404

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-nitrosoaniline;hydrochloride?
The IUPAC name of 3-methoxy-2-nitrosoaniline;hydrochloride (CID 90401727) is 3-methoxy-2-nitrosoaniline;hydrochloride.
What is the SMILES notation for 3-methoxy-2-nitrosoaniline;hydrochloride?
The canonical SMILES for 3-methoxy-2-nitrosoaniline;hydrochloride is COc1cccc(N)c1N=O.Cl.
What is the InChIKey of 3-methoxy-2-nitrosoaniline;hydrochloride?
The InChIKey is VVOOZUUOZRCHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.ClH/c1-11-6-4-2-3-5(8)7(6)9-10;/h2-4H,8H2,1H3;1H.
What are the key properties of 3-methoxy-2-nitrosoaniline;hydrochloride?
3-methoxy-2-nitrosoaniline;hydrochloride has a molecular weight of 188.61 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-nitrosoaniline;hydrochloride is sourced from PubChem (CID 90401727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).