2-amino-4-chloro-5-nitrophenol

C6H5ClN2O3 — CID 3894848

IUPAC2-amino-4-chloro-5-nitrophenol
SMILESNc1cc(Cl)c([N+](=O)[O-])cc1O
InChIInChI=1S/C6H5ClN2O3/c7-3-1-4(8)6(10)2-5(3)9(11)12/h1-2,10H,8H2
InChIKeyZARYBZGMUVAJMK-UHFFFAOYSA-N
MW188.57 g/mol
LogP1.54
Rot. Bonds1

About 2-amino-4-chloro-5-nitrophenol

2-amino-4-chloro-5-nitrophenol (PubChem CID 3894848) has the molecular formula C6H5ClN2O3 and a molecular weight of 188.57 g/mol. Its IUPAC name is 2-amino-4-chloro-5-nitrophenol.

Molecular Properties

Compound Name2-amino-4-chloro-5-nitrophenol
PubChem CID3894848
Molecular FormulaC6H5ClN2O3
Molecular Weight188.57 g/mol
Exact Mass188.00
IUPAC Name2-amino-4-chloro-5-nitrophenol
SMILESNc1cc(Cl)c([N+](=O)[O-])cc1O
InChIInChI=1S/C6H5ClN2O3/c7-3-1-4(8)6(10)2-5(3)9(11)12/h1-2,10H,8H2
InChIKeyZARYBZGMUVAJMK-UHFFFAOYSA-N
XLogP1.54
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.57
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'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-amino-4-chloro-5-nitrophenol?
The IUPAC name of 2-amino-4-chloro-5-nitrophenol (CID 3894848) is 2-amino-4-chloro-5-nitrophenol.
What is the SMILES notation for 2-amino-4-chloro-5-nitrophenol?
The canonical SMILES for 2-amino-4-chloro-5-nitrophenol is Nc1cc(Cl)c([N+](=O)[O-])cc1O.
What is the InChIKey of 2-amino-4-chloro-5-nitrophenol?
The InChIKey is ZARYBZGMUVAJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O3/c7-3-1-4(8)6(10)2-5(3)9(11)12/h1-2,10H,8H2.
What are the key properties of 2-amino-4-chloro-5-nitrophenol?
2-amino-4-chloro-5-nitrophenol has a molecular weight of 188.57 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-5-nitrophenol is sourced from PubChem (CID 3894848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).