3-amino-2,4-dichlorophenol

C6H5Cl2NO — CID 3017276

IUPAC3-amino-2,4-dichlorophenol
SMILESNc1c(Cl)ccc(O)c1Cl
InChIInChI=1S/C6H5Cl2NO/c7-3-1-2-4(10)5(8)6(3)9/h1-2,10H,9H2
InChIKeySYRZWFBWUASJJI-UHFFFAOYSA-N
MW178.02 g/mol
LogP2.28
Rot. Bonds

About 3-amino-2,4-dichlorophenol

3-amino-2,4-dichlorophenol (PubChem CID 3017276) has the molecular formula C6H5Cl2NO and a molecular weight of 178.02 g/mol. Its IUPAC name is 3-amino-2,4-dichlorophenol.

Molecular Properties

Compound Name3-amino-2,4-dichlorophenol
PubChem CID3017276
Molecular FormulaC6H5Cl2NO
Molecular Weight178.02 g/mol
Exact Mass176.97
IUPAC Name3-amino-2,4-dichlorophenol
SMILESNc1c(Cl)ccc(O)c1Cl
InChIInChI=1S/C6H5Cl2NO/c7-3-1-2-4(10)5(8)6(3)9/h1-2,10H,9H2
InChIKeySYRZWFBWUASJJI-UHFFFAOYSA-N
XLogP2.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.02
LogP ≤ 52.28
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 3-amino-2,4-dichlorophenol?
The IUPAC name of 3-amino-2,4-dichlorophenol (CID 3017276) is 3-amino-2,4-dichlorophenol.
What is the SMILES notation for 3-amino-2,4-dichlorophenol?
The canonical SMILES for 3-amino-2,4-dichlorophenol is Nc1c(Cl)ccc(O)c1Cl.
What is the InChIKey of 3-amino-2,4-dichlorophenol?
The InChIKey is SYRZWFBWUASJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO/c7-3-1-2-4(10)5(8)6(3)9/h1-2,10H,9H2.
What are the key properties of 3-amino-2,4-dichlorophenol?
3-amino-2,4-dichlorophenol has a molecular weight of 178.02 g/mol, XLogP of 2.28, 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 is sourced from PubChem (CID 3017276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).