6-chloro-3-diazonio-1-methylindol-2-olate

C9H6ClN3O — CID 135357748

IUPAC6-chloro-3-diazonio-1-methylindol-2-olate
SMILESCn1c([O-])c([N+]#N)c2ccc(Cl)cc21
InChIInChI=1S/C9H6ClN3O/c1-13-7-4-5(10)2-3-6(7)8(12-11)9(13)14/h2-4H,1H3
InChIKeyBXHQSWNATWMNHW-UHFFFAOYSA-N
MW207.62 g/mol
LogP2.39
Rot. Bonds

About 6-chloro-3-diazonio-1-methylindol-2-olate

6-chloro-3-diazonio-1-methylindol-2-olate (PubChem CID 135357748) has the molecular formula C9H6ClN3O and a molecular weight of 207.62 g/mol. Its IUPAC name is 6-chloro-3-diazonio-1-methylindol-2-olate.

Molecular Properties

Compound Name6-chloro-3-diazonio-1-methylindol-2-olate
PubChem CID135357748
Molecular FormulaC9H6ClN3O
Molecular Weight207.62 g/mol
Exact Mass207.02
IUPAC Name6-chloro-3-diazonio-1-methylindol-2-olate
SMILESCn1c([O-])c([N+]#N)c2ccc(Cl)cc21
InChIInChI=1S/C9H6ClN3O/c1-13-7-4-5(10)2-3-6(7)8(12-11)9(13)14/h2-4H,1H3
InChIKeyBXHQSWNATWMNHW-UHFFFAOYSA-N
XLogP2.39
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.62
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-3-(phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 2767481
1-Ethyl-3-hydrazono-1,3-dihydro-indol-2-one
CID 2386107
3-hydrazinylidene-1-propyl-2,3-dihydro-1H-indol-2-one
CID 2384264
1-(4-chlorobenzyl)-1H-indole-2,3-dione 3-oxime
CID 2766825
3-Hydrazono-1-methyl-1,3-dihydro-indol-2-one
CID 600234
1-[(4-Chlorophenyl)methyl]-4-iodo-3-nitrosoindol-2-ol
CID 145952040
4-Chloro-1-[(4-chlorophenyl)methyl]-3-nitrosoindol-2-ol
CID 145954150
3-Diazo-1-methyl-1,3-dihydro-indol-2-one
CID 599343
(3Z)-1-butyl-3-[(2-chlorophenyl)hydrazono]oxindole
CID 135857077
(Z)-1-isopentyl-3-(2-(2,4,6-trichlorophenyl)hydrazono)indolin-2-one
CID 3356910
1-Benzyl-3-diazoindolin-2-one
CID 11368673
6-Chloro-3-diazooxindole
CID 20310410

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-diazonio-1-methylindol-2-olate?
The IUPAC name of 6-chloro-3-diazonio-1-methylindol-2-olate (CID 135357748) is 6-chloro-3-diazonio-1-methylindol-2-olate.
What is the SMILES notation for 6-chloro-3-diazonio-1-methylindol-2-olate?
The canonical SMILES for 6-chloro-3-diazonio-1-methylindol-2-olate is Cn1c([O-])c([N+]#N)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-3-diazonio-1-methylindol-2-olate?
The InChIKey is BXHQSWNATWMNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O/c1-13-7-4-5(10)2-3-6(7)8(12-11)9(13)14/h2-4H,1H3.
What are the key properties of 6-chloro-3-diazonio-1-methylindol-2-olate?
6-chloro-3-diazonio-1-methylindol-2-olate has a molecular weight of 207.62 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-diazonio-1-methylindol-2-olate is sourced from PubChem (CID 135357748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).