2,4-dichloro-3-nitrophenol

C6H3Cl2NO3 — CID 20513932

IUPAC2,4-dichloro-3-nitrophenol
SMILESO=[N+]([O-])c1c(Cl)ccc(O)c1Cl
InChIInChI=1S/C6H3Cl2NO3/c7-3-1-2-4(10)5(8)6(3)9(11)12/h1-2,10H
InChIKeyGLNRZGZHZYONRE-UHFFFAOYSA-N
MW208.00 g/mol
LogP2.61
Rot. Bonds1

About 2,4-dichloro-3-nitrophenol

2,4-dichloro-3-nitrophenol (PubChem CID 20513932) has the molecular formula C6H3Cl2NO3 and a molecular weight of 208.00 g/mol. Its IUPAC name is 2,4-dichloro-3-nitrophenol.

Molecular Properties

Compound Name2,4-dichloro-3-nitrophenol
PubChem CID20513932
Molecular FormulaC6H3Cl2NO3
Molecular Weight208.00 g/mol
Exact Mass206.95
IUPAC Name2,4-dichloro-3-nitrophenol
SMILESO=[N+]([O-])c1c(Cl)ccc(O)c1Cl
InChIInChI=1S/C6H3Cl2NO3/c7-3-1-2-4(10)5(8)6(3)9(11)12/h1-2,10H
InChIKeyGLNRZGZHZYONRE-UHFFFAOYSA-N
XLogP2.61
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.00
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-nitrophenol?
The IUPAC name of 2,4-dichloro-3-nitrophenol (CID 20513932) is 2,4-dichloro-3-nitrophenol.
What is the SMILES notation for 2,4-dichloro-3-nitrophenol?
The canonical SMILES for 2,4-dichloro-3-nitrophenol is O=[N+]([O-])c1c(Cl)ccc(O)c1Cl.
What is the InChIKey of 2,4-dichloro-3-nitrophenol?
The InChIKey is GLNRZGZHZYONRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO3/c7-3-1-2-4(10)5(8)6(3)9(11)12/h1-2,10H.
What are the key properties of 2,4-dichloro-3-nitrophenol?
2,4-dichloro-3-nitrophenol has a molecular weight of 208.00 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-nitrophenol is sourced from PubChem (CID 20513932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).