2,3-diaminophenol;hydrochloride

C6H9ClN2O — CID 18381079

IUPAC2,3-diaminophenol;hydrochloride
SMILESCl.Nc1cccc(O)c1N
InChIInChI=1S/C6H8N2O.ClH/c7-4-2-1-3-5(9)6(4)8;/h1-3,9H,7-8H2;1H
InChIKeyHDZHNYWSJFVZIO-UHFFFAOYSA-N
MW160.60 g/mol
LogP0.98
Rot. Bonds

About 2,3-diaminophenol;hydrochloride

2,3-diaminophenol;hydrochloride (PubChem CID 18381079) has the molecular formula C6H9ClN2O and a molecular weight of 160.60 g/mol. Its IUPAC name is 2,3-diaminophenol;hydrochloride.

Molecular Properties

Compound Name2,3-diaminophenol;hydrochloride
PubChem CID18381079
Molecular FormulaC6H9ClN2O
Molecular Weight160.60 g/mol
Exact Mass160.04
IUPAC Name2,3-diaminophenol;hydrochloride
SMILESCl.Nc1cccc(O)c1N
InChIInChI=1S/C6H8N2O.ClH/c7-4-2-1-3-5(9)6(4)8;/h1-3,9H,7-8H2;1H
InChIKeyHDZHNYWSJFVZIO-UHFFFAOYSA-N
XLogP0.98
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-diaminophenol;dihydrochloride
CID 18401751
2,3-diaminophenol;zinc
CID 90019674
sodium 2-aminophenol
CID 18764426
2-aminophenol;azane
CID 159865141
2-amino-3-aminooxyphenol;dihydrochloride
CID 19876209
2-amino-3-chlorophenol
CID 19828962
benzene-1,2-diamine;hydrogen peroxide;hydrochloride
CID 175004407
2,3-diaminobenzamide;dihydrochloride
CID 53422807
2,3-diaminobenzamide;hydrochloride
CID 118989521
2-amino-3-[(2-amino-3-hydroxyphenyl)methyl]phenol
CID 23106823
methanol;3-methylbenzene-1,2-diamine
CID 174839717
3-amino-2-methylphenol;hydrate
CID 175262808

Frequently Asked Questions

What is the IUPAC name of 2,3-diaminophenol;hydrochloride?
The IUPAC name of 2,3-diaminophenol;hydrochloride (CID 18381079) is 2,3-diaminophenol;hydrochloride.
What is the SMILES notation for 2,3-diaminophenol;hydrochloride?
The canonical SMILES for 2,3-diaminophenol;hydrochloride is Cl.Nc1cccc(O)c1N.
What is the InChIKey of 2,3-diaminophenol;hydrochloride?
The InChIKey is HDZHNYWSJFVZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.ClH/c7-4-2-1-3-5(9)6(4)8;/h1-3,9H,7-8H2;1H.
What are the key properties of 2,3-diaminophenol;hydrochloride?
2,3-diaminophenol;hydrochloride has a molecular weight of 160.60 g/mol, XLogP of 0.98, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diaminophenol;hydrochloride is sourced from PubChem (CID 18381079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).