5-amino-2,3,4-trichlorophenol

C6H4Cl3NO — CID 22755986

IUPAC5-amino-2,3,4-trichlorophenol
SMILESNc1cc(O)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6H4Cl3NO/c7-4-2(10)1-3(11)5(8)6(4)9/h1,11H,10H2
InChIKeyQMJOQSCQWOBGDH-UHFFFAOYSA-N
MW212.46 g/mol
LogP2.93
Rot. Bonds

About 5-amino-2,3,4-trichlorophenol

5-amino-2,3,4-trichlorophenol (PubChem CID 22755986) has the molecular formula C6H4Cl3NO and a molecular weight of 212.46 g/mol. Its IUPAC name is 5-amino-2,3,4-trichlorophenol.

Molecular Properties

Compound Name5-amino-2,3,4-trichlorophenol
PubChem CID22755986
Molecular FormulaC6H4Cl3NO
Molecular Weight212.46 g/mol
Exact Mass210.94
IUPAC Name5-amino-2,3,4-trichlorophenol
SMILESNc1cc(O)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6H4Cl3NO/c7-4-2(10)1-3(11)5(8)6(4)9/h1,11H,10H2
InChIKeyQMJOQSCQWOBGDH-UHFFFAOYSA-N
XLogP2.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.46
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3,4-trichlorophenol?
The IUPAC name of 5-amino-2,3,4-trichlorophenol (CID 22755986) is 5-amino-2,3,4-trichlorophenol.
What is the SMILES notation for 5-amino-2,3,4-trichlorophenol?
The canonical SMILES for 5-amino-2,3,4-trichlorophenol is Nc1cc(O)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 5-amino-2,3,4-trichlorophenol?
The InChIKey is QMJOQSCQWOBGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl3NO/c7-4-2(10)1-3(11)5(8)6(4)9/h1,11H,10H2.
What are the key properties of 5-amino-2,3,4-trichlorophenol?
5-amino-2,3,4-trichlorophenol has a molecular weight of 212.46 g/mol, XLogP of 2.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3,4-trichlorophenol is sourced from PubChem (CID 22755986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).