3-chloro-6-methylphenanthridine

C14H10ClN — CID 22482295

IUPAC3-chloro-6-methylphenanthridine
SMILESCc1nc2cc(Cl)ccc2c2ccccc12
InChIInChI=1S/C14H10ClN/c1-9-11-4-2-3-5-12(11)13-7-6-10(15)8-14(13)16-9/h2-8H,1H3
InChIKeyWUCSZIKPYDCXRK-UHFFFAOYSA-N
MW227.69 g/mol
LogP4.35
Rot. Bonds

About 3-chloro-6-methylphenanthridine

3-chloro-6-methylphenanthridine (PubChem CID 22482295) has the molecular formula C14H10ClN and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-chloro-6-methylphenanthridine.

Molecular Properties

Compound Name3-chloro-6-methylphenanthridine
PubChem CID22482295
Molecular FormulaC14H10ClN
Molecular Weight227.69 g/mol
Exact Mass227.05
IUPAC Name3-chloro-6-methylphenanthridine
SMILESCc1nc2cc(Cl)ccc2c2ccccc12
InChIInChI=1S/C14H10ClN/c1-9-11-4-2-3-5-12(11)13-7-6-10(15)8-14(13)16-9/h2-8H,1H3
InChIKeyWUCSZIKPYDCXRK-UHFFFAOYSA-N
XLogP4.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-chloro-6-methylphenanthridine?
The IUPAC name of 3-chloro-6-methylphenanthridine (CID 22482295) is 3-chloro-6-methylphenanthridine.
What is the SMILES notation for 3-chloro-6-methylphenanthridine?
The canonical SMILES for 3-chloro-6-methylphenanthridine is Cc1nc2cc(Cl)ccc2c2ccccc12.
What is the InChIKey of 3-chloro-6-methylphenanthridine?
The InChIKey is WUCSZIKPYDCXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN/c1-9-11-4-2-3-5-12(11)13-7-6-10(15)8-14(13)16-9/h2-8H,1H3.
What are the key properties of 3-chloro-6-methylphenanthridine?
3-chloro-6-methylphenanthridine has a molecular weight of 227.69 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methylphenanthridine is sourced from PubChem (CID 22482295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).