2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one

C13H8ClNO3 — CID 164598426

IUPAC2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one
SMILESO=c1[nH]c2cc(O)c(Cl)cc2c2ccc(O)cc12
InChIInChI=1S/C13H8ClNO3/c14-10-4-8-7-2-1-6(16)3-9(7)13(18)15-11(8)5-12(10)17/h1-5,16-17H,(H,15,18)
InChIKeyHBCANUSMQIZFOR-UHFFFAOYSA-N
MW261.66 g/mol
LogP2.75
Rot. Bonds

About 2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one

2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one (PubChem CID 164598426) has the molecular formula C13H8ClNO3 and a molecular weight of 261.66 g/mol. Its IUPAC name is 2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one.

Molecular Properties

Compound Name2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one
PubChem CID164598426
Molecular FormulaC13H8ClNO3
Molecular Weight261.66 g/mol
Exact Mass261.02
IUPAC Name2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one
SMILESO=c1[nH]c2cc(O)c(Cl)cc2c2ccc(O)cc12
InChIInChI=1S/C13H8ClNO3/c14-10-4-8-7-2-1-6(16)3-9(7)13(18)15-11(8)5-12(10)17/h1-5,16-17H,(H,15,18)
InChIKeyHBCANUSMQIZFOR-UHFFFAOYSA-N
XLogP2.75
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.66
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one?
The IUPAC name of 2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one (CID 164598426) is 2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one.
What is the SMILES notation for 2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one?
The canonical SMILES for 2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one is O=c1[nH]c2cc(O)c(Cl)cc2c2ccc(O)cc12.
What is the InChIKey of 2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one?
The InChIKey is HBCANUSMQIZFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO3/c14-10-4-8-7-2-1-6(16)3-9(7)13(18)15-11(8)5-12(10)17/h1-5,16-17H,(H,15,18).
What are the key properties of 2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one?
2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one has a molecular weight of 261.66 g/mol, XLogP of 2.75, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one is sourced from PubChem (CID 164598426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).