4-chloro-2-hydroxy-5H-phenanthridin-6-one;hydrochloride

C13H9Cl2NO2 — CID 175751706

IUPAC4-chloro-2-hydroxy-5H-phenanthridin-6-one;hydrochloride
SMILESCl.O=c1[nH]c2c(Cl)cc(O)cc2c2ccccc12
InChIInChI=1S/C13H8ClNO2.ClH/c14-11-6-7(16)5-10-8-3-1-2-4-9(8)13(17)15-12(10)11;/h1-6,16H,(H,15,17);1H
InChIKeyFJURGYYYTBACKT-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.46
Rot. Bonds

About 4-chloro-2-hydroxy-5H-phenanthridin-6-one;hydrochloride

4-chloro-2-hydroxy-5H-phenanthridin-6-one;hydrochloride (PubChem CID 175751706) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-5H-phenanthridin-6-one;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-hydroxy-5H-phenanthridin-6-one;hydrochloride
PubChem CID175751706
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name4-chloro-2-hydroxy-5H-phenanthridin-6-one;hydrochloride
SMILESCl.O=c1[nH]c2c(Cl)cc(O)cc2c2ccccc12
InChIInChI=1S/C13H8ClNO2.ClH/c14-11-6-7(16)5-10-8-3-1-2-4-9(8)13(17)15-12(10)11;/h1-6,16H,(H,15,17);1H
InChIKeyFJURGYYYTBACKT-UHFFFAOYSA-N
XLogP3.46
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-5H-phenanthridin-6-one;hydrochloride?
The IUPAC name of 4-chloro-2-hydroxy-5H-phenanthridin-6-one;hydrochloride (CID 175751706) is 4-chloro-2-hydroxy-5H-phenanthridin-6-one;hydrochloride.
What is the SMILES notation for 4-chloro-2-hydroxy-5H-phenanthridin-6-one;hydrochloride?
The canonical SMILES for 4-chloro-2-hydroxy-5H-phenanthridin-6-one;hydrochloride is Cl.O=c1[nH]c2c(Cl)cc(O)cc2c2ccccc12.
What is the InChIKey of 4-chloro-2-hydroxy-5H-phenanthridin-6-one;hydrochloride?
The InChIKey is FJURGYYYTBACKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO2.ClH/c14-11-6-7(16)5-10-8-3-1-2-4-9(8)13(17)15-12(10)11;/h1-6,16H,(H,15,17);1H.
What are the key properties of 4-chloro-2-hydroxy-5H-phenanthridin-6-one;hydrochloride?
4-chloro-2-hydroxy-5H-phenanthridin-6-one;hydrochloride has a molecular weight of 282.13 g/mol, XLogP of 3.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-5H-phenanthridin-6-one;hydrochloride is sourced from PubChem (CID 175751706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).