6-chlorobenzo[k]phenanthridin-8-ol

C17H10ClNO — CID 10107680

IUPAC6-chlorobenzo[k]phenanthridin-8-ol
SMILESOc1cc2c(Cl)nc3ccccc3c2c2ccccc12
InChIInChI=1S/C17H10ClNO/c18-17-13-9-15(20)10-5-1-2-6-11(10)16(13)12-7-3-4-8-14(12)19-17/h1-9,20H
InChIKeyCRLUOYBCCMIIPE-UHFFFAOYSA-N
MW279.73 g/mol
LogP4.90
Rot. Bonds

About 6-chlorobenzo[k]phenanthridin-8-ol

6-chlorobenzo[k]phenanthridin-8-ol (PubChem CID 10107680) has the molecular formula C17H10ClNO and a molecular weight of 279.73 g/mol. Its IUPAC name is 6-chlorobenzo[k]phenanthridin-8-ol.

Molecular Properties

Compound Name6-chlorobenzo[k]phenanthridin-8-ol
PubChem CID10107680
Molecular FormulaC17H10ClNO
Molecular Weight279.73 g/mol
Exact Mass279.05
IUPAC Name6-chlorobenzo[k]phenanthridin-8-ol
SMILESOc1cc2c(Cl)nc3ccccc3c2c2ccccc12
InChIInChI=1S/C17H10ClNO/c18-17-13-9-15(20)10-5-1-2-6-11(10)16(13)12-7-3-4-8-14(12)19-17/h1-9,20H
InChIKeyCRLUOYBCCMIIPE-UHFFFAOYSA-N
XLogP4.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chlorobenzo[k]phenanthridin-8-ol?
The IUPAC name of 6-chlorobenzo[k]phenanthridin-8-ol (CID 10107680) is 6-chlorobenzo[k]phenanthridin-8-ol.
What is the SMILES notation for 6-chlorobenzo[k]phenanthridin-8-ol?
The canonical SMILES for 6-chlorobenzo[k]phenanthridin-8-ol is Oc1cc2c(Cl)nc3ccccc3c2c2ccccc12.
What is the InChIKey of 6-chlorobenzo[k]phenanthridin-8-ol?
The InChIKey is CRLUOYBCCMIIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClNO/c18-17-13-9-15(20)10-5-1-2-6-11(10)16(13)12-7-3-4-8-14(12)19-17/h1-9,20H.
What are the key properties of 6-chlorobenzo[k]phenanthridin-8-ol?
6-chlorobenzo[k]phenanthridin-8-ol has a molecular weight of 279.73 g/mol, XLogP of 4.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorobenzo[k]phenanthridin-8-ol is sourced from PubChem (CID 10107680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).