N-(5-diazonio-2,4-dimethoxyphenyl)benzenecarboximidate;hydrochloride

C15H14ClN3O3 — CID 171375778

IUPACN-(5-diazonio-2,4-dimethoxyphenyl)benzenecarboximidate;hydrochloride
SMILESCOc1cc(OC)c([N+]#N)cc1/N=C(\[O-])c1ccccc1.Cl
InChIInChI=1S/C15H13N3O3.ClH/c1-20-13-9-14(21-2)12(18-16)8-11(13)17-15(19)10-6-4-3-5-7-10;/h3-9H,1-2H3;1H
InChIKeyTYPLDTAXANYCGO-UHFFFAOYSA-N
MW319.75 g/mol
LogP3.05
Rot. Bonds4

About N-(5-diazonio-2,4-dimethoxyphenyl)benzenecarboximidate;hydrochloride

N-(5-diazonio-2,4-dimethoxyphenyl)benzenecarboximidate;hydrochloride (PubChem CID 171375778) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is N-(5-diazonio-2,4-dimethoxyphenyl)benzenecarboximidate;hydrochloride.

Molecular Properties

Compound NameN-(5-diazonio-2,4-dimethoxyphenyl)benzenecarboximidate;hydrochloride
PubChem CID171375778
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC NameN-(5-diazonio-2,4-dimethoxyphenyl)benzenecarboximidate;hydrochloride
SMILESCOc1cc(OC)c([N+]#N)cc1/N=C(\[O-])c1ccccc1.Cl
InChIInChI=1S/C15H13N3O3.ClH/c1-20-13-9-14(21-2)12(18-16)8-11(13)17-15(19)10-6-4-3-5-7-10;/h3-9H,1-2H3;1H
InChIKeyTYPLDTAXANYCGO-UHFFFAOYSA-N
XLogP3.05
TPSA82.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

sodium N-phenylbenzenecarboximidate
CID 101478237
N'-(3,4-dimethoxyphenyl)benzenecarboximidamide
CID 24834403
2-methoxybenzenediazonium chloride
CID 10920957
4-anilino-2-methoxybenzenediazonium bromide
CID 19770680
2-diazonio-6-methoxybenzoate
CID 134897591
4-benzamido-5-methoxy-2-methylbenzenediazonium
CID 23558418
2,5-dimethoxy-4-[(2-phenylacetyl)amino]benzenediazonium chloride
CID 163846426
2-methoxy-5-sulfobenzenediazonium
CID 134929744
2-methoxydibenzofuran-3-diazonium chloride
CID 87576667
3-methoxy-N'-phenylbenzenecarboximidamide
CID 70654752
2-methoxy-4-(N-sulfoanilino)benzenediazonium
CID 18916267
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399

Frequently Asked Questions

What is the IUPAC name of N-(5-diazonio-2,4-dimethoxyphenyl)benzenecarboximidate;hydrochloride?
The IUPAC name of N-(5-diazonio-2,4-dimethoxyphenyl)benzenecarboximidate;hydrochloride (CID 171375778) is N-(5-diazonio-2,4-dimethoxyphenyl)benzenecarboximidate;hydrochloride.
What is the SMILES notation for N-(5-diazonio-2,4-dimethoxyphenyl)benzenecarboximidate;hydrochloride?
The canonical SMILES for N-(5-diazonio-2,4-dimethoxyphenyl)benzenecarboximidate;hydrochloride is COc1cc(OC)c([N+]#N)cc1/N=C(\[O-])c1ccccc1.Cl.
What is the InChIKey of N-(5-diazonio-2,4-dimethoxyphenyl)benzenecarboximidate;hydrochloride?
The InChIKey is TYPLDTAXANYCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3.ClH/c1-20-13-9-14(21-2)12(18-16)8-11(13)17-15(19)10-6-4-3-5-7-10;/h3-9H,1-2H3;1H.
What are the key properties of N-(5-diazonio-2,4-dimethoxyphenyl)benzenecarboximidate;hydrochloride?
N-(5-diazonio-2,4-dimethoxyphenyl)benzenecarboximidate;hydrochloride has a molecular weight of 319.75 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-diazonio-2,4-dimethoxyphenyl)benzenecarboximidate;hydrochloride is sourced from PubChem (CID 171375778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).