5-amino-2,4-dichlorophenol;hydrochloride

C6H6Cl3NO — CID 13461329

IUPAC5-amino-2,4-dichlorophenol;hydrochloride
SMILESCl.Nc1cc(O)c(Cl)cc1Cl
InChIInChI=1S/C6H5Cl2NO.ClH/c7-3-1-4(8)6(10)2-5(3)9;/h1-2,10H,9H2;1H
InChIKeyFTMLWEVHTJTOLS-UHFFFAOYSA-N
MW214.48 g/mol
LogP2.70
Rot. Bonds

About 5-amino-2,4-dichlorophenol;hydrochloride

5-amino-2,4-dichlorophenol;hydrochloride (PubChem CID 13461329) has the molecular formula C6H6Cl3NO and a molecular weight of 214.48 g/mol. Its IUPAC name is 5-amino-2,4-dichlorophenol;hydrochloride.

Molecular Properties

Compound Name5-amino-2,4-dichlorophenol;hydrochloride
PubChem CID13461329
Molecular FormulaC6H6Cl3NO
Molecular Weight214.48 g/mol
Exact Mass212.95
IUPAC Name5-amino-2,4-dichlorophenol;hydrochloride
SMILESCl.Nc1cc(O)c(Cl)cc1Cl
InChIInChI=1S/C6H5Cl2NO.ClH/c7-3-1-4(8)6(10)2-5(3)9;/h1-2,10H,9H2;1H
InChIKeyFTMLWEVHTJTOLS-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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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dichlorophenol;hydrochloride?
The IUPAC name of 5-amino-2,4-dichlorophenol;hydrochloride (CID 13461329) is 5-amino-2,4-dichlorophenol;hydrochloride.
What is the SMILES notation for 5-amino-2,4-dichlorophenol;hydrochloride?
The canonical SMILES for 5-amino-2,4-dichlorophenol;hydrochloride is Cl.Nc1cc(O)c(Cl)cc1Cl.
What is the InChIKey of 5-amino-2,4-dichlorophenol;hydrochloride?
The InChIKey is FTMLWEVHTJTOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO.ClH/c7-3-1-4(8)6(10)2-5(3)9;/h1-2,10H,9H2;1H.
What are the key properties of 5-amino-2,4-dichlorophenol;hydrochloride?
5-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 5-amino-2,4-dichlorophenol;hydrochloride is sourced from PubChem (CID 13461329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).