3-amino-2,4-dichlorophenol;hydrochloride

C6H6Cl3NO — CID 19898117

IUPAC3-amino-2,4-dichlorophenol;hydrochloride
SMILESCl.Nc1c(Cl)ccc(O)c1Cl
InChIInChI=1S/C6H5Cl2NO.ClH/c7-3-1-2-4(10)5(8)6(3)9;/h1-2,10H,9H2;1H
InChIKeyMQWQWQBIVSVACH-UHFFFAOYSA-N
MW214.48 g/mol
LogP2.70
Rot. Bonds

About 3-amino-2,4-dichlorophenol;hydrochloride

3-amino-2,4-dichlorophenol;hydrochloride (PubChem CID 19898117) has the molecular formula C6H6Cl3NO and a molecular weight of 214.48 g/mol. Its IUPAC name is 3-amino-2,4-dichlorophenol;hydrochloride.

Molecular Properties

Compound Name3-amino-2,4-dichlorophenol;hydrochloride
PubChem CID19898117
Molecular FormulaC6H6Cl3NO
Molecular Weight214.48 g/mol
Exact Mass212.95
IUPAC Name3-amino-2,4-dichlorophenol;hydrochloride
SMILESCl.Nc1c(Cl)ccc(O)c1Cl
InChIInChI=1S/C6H5Cl2NO.ClH/c7-3-1-2-4(10)5(8)6(3)9;/h1-2,10H,9H2;1H
InChIKeyMQWQWQBIVSVACH-UHFFFAOYSA-N
XLogP2.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-4-chlorophenol
CID 5070078
5-Amino-2-chlorophenol
CID 80676
5-Amino-2-chloro-4-fluorophenol
CID 158654
3-Amino-2,4-dichlorophenol
CID 3017276
Phenol, 2,4-dichloro-5-hydrazinyl-, hydrochloride (1:1)
CID 70131392
5-Amino-2,4-dichlorophenol
CID 101471
2,4-Dichloro-3-nitrophenol
CID 20513932
Phenol, 2,4-dichloro-5-nitro-
CID 181635
3-Amino-2,6-dichlorophenol
CID 22392581
3-Amino-2-chlorophenol
CID 588739
Trichlorophenol amine
CID 22755986
2-Chloro-5-(hydroxyamino)phenol
CID 123302933

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-dichlorophenol;hydrochloride?
The IUPAC name of 3-amino-2,4-dichlorophenol;hydrochloride (CID 19898117) is 3-amino-2,4-dichlorophenol;hydrochloride.
What is the SMILES notation for 3-amino-2,4-dichlorophenol;hydrochloride?
The canonical SMILES for 3-amino-2,4-dichlorophenol;hydrochloride is Cl.Nc1c(Cl)ccc(O)c1Cl.
What is the InChIKey of 3-amino-2,4-dichlorophenol;hydrochloride?
The InChIKey is MQWQWQBIVSVACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO.ClH/c7-3-1-2-4(10)5(8)6(3)9;/h1-2,10H,9H2;1H.
What are the key properties of 3-amino-2,4-dichlorophenol;hydrochloride?
3-amino-2,4-dichlorophenol;hydrochloride has a molecular weight of 214.48 g/mol, XLogP of 2.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-dichlorophenol;hydrochloride is sourced from PubChem (CID 19898117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).