4-chloro-2-(diazonioamino)-1-methoxybenzene

C7H7ClN3O+ — CID 88617455

IUPAC4-chloro-2-(diazonioamino)-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1N[N+]#N
InChIInChI=1S/C7H7ClN3O/c1-12-7-3-2-5(8)4-6(7)10-11-9/h2-4,10H,1H3/q+1
InChIKeyINTANAZGTRDFCT-UHFFFAOYSA-N
MW184.61 g/mol
LogP2.53
Rot. Bonds2

About 4-chloro-2-(diazonioamino)-1-methoxybenzene

4-chloro-2-(diazonioamino)-1-methoxybenzene (PubChem CID 88617455) has the molecular formula C7H7ClN3O+ and a molecular weight of 184.61 g/mol. Its IUPAC name is 4-chloro-2-(diazonioamino)-1-methoxybenzene.

Molecular Properties

Compound Name4-chloro-2-(diazonioamino)-1-methoxybenzene
PubChem CID88617455
Molecular FormulaC7H7ClN3O+
Molecular Weight184.61 g/mol
Exact Mass184.03
IUPAC Name4-chloro-2-(diazonioamino)-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1N[N+]#N
InChIInChI=1S/C7H7ClN3O/c1-12-7-3-2-5(8)4-6(7)10-11-9/h2-4,10H,1H3/q+1
InChIKeyINTANAZGTRDFCT-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.61
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
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4-(diazonioamino)-1-methoxy-2-methylbenzene
CID 163519051
methyl (E)-3-(5-chloro-2-methoxyanilino)prop-2-enoate
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5-chloro-N-(2-fluoroethyl)-2-methoxyaniline
CID 80700235
5-chloro-N-(3-chlorophenyl)-2-methoxyaniline
CID 82536935
5-chloro-N-(2-chlorophenyl)-2-methoxyaniline
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(5-chloro-2-methoxyphenyl)hydrazine;oxalic acid
CID 175007834
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(diazonioamino)-1-methoxybenzene?
The IUPAC name of 4-chloro-2-(diazonioamino)-1-methoxybenzene (CID 88617455) is 4-chloro-2-(diazonioamino)-1-methoxybenzene.
What is the SMILES notation for 4-chloro-2-(diazonioamino)-1-methoxybenzene?
The canonical SMILES for 4-chloro-2-(diazonioamino)-1-methoxybenzene is COc1ccc(Cl)cc1N[N+]#N.
What is the InChIKey of 4-chloro-2-(diazonioamino)-1-methoxybenzene?
The InChIKey is INTANAZGTRDFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN3O/c1-12-7-3-2-5(8)4-6(7)10-11-9/h2-4,10H,1H3/q+1.
What are the key properties of 4-chloro-2-(diazonioamino)-1-methoxybenzene?
4-chloro-2-(diazonioamino)-1-methoxybenzene has a molecular weight of 184.61 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(diazonioamino)-1-methoxybenzene is sourced from PubChem (CID 88617455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).