2,9-dimethyl-1,10-phenanthroline;hydron;chloride

C14H13ClN2 — CID 74764058

IUPAC2,9-dimethyl-1,10-phenanthroline;hydron;chloride
SMILESCc1ccc2ccc3ccc(C)nc3c2n1.[Cl-].[H+]
InChIInChI=1S/C14H12N2.ClH/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;/h3-8H,1-2H3;1H
InChIKeyQUGBNSJLQDNNPK-UHFFFAOYSA-N
MW244.72 g/mol
LogP0.52
Rot. Bonds

About 2,9-dimethyl-1,10-phenanthroline;hydron;chloride

2,9-dimethyl-1,10-phenanthroline;hydron;chloride (PubChem CID 74764058) has the molecular formula C14H13ClN2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 2,9-dimethyl-1,10-phenanthroline;hydron;chloride.

Molecular Properties

Compound Name2,9-dimethyl-1,10-phenanthroline;hydron;chloride
PubChem CID74764058
Molecular FormulaC14H13ClN2
Molecular Weight244.72 g/mol
Exact Mass244.08
IUPAC Name2,9-dimethyl-1,10-phenanthroline;hydron;chloride
SMILESCc1ccc2ccc3ccc(C)nc3c2n1.[Cl-].[H+]
InChIInChI=1S/C14H12N2.ClH/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;/h3-8H,1-2H3;1H
InChIKeyQUGBNSJLQDNNPK-UHFFFAOYSA-N
XLogP0.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,9-dimethyl-1,10-phenanthroline;hydron;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-1,10-phenanthroline;hydron;chloride?
The IUPAC name of 2,9-dimethyl-1,10-phenanthroline;hydron;chloride (CID 74764058) is 2,9-dimethyl-1,10-phenanthroline;hydron;chloride.
What is the SMILES notation for 2,9-dimethyl-1,10-phenanthroline;hydron;chloride?
The canonical SMILES for 2,9-dimethyl-1,10-phenanthroline;hydron;chloride is Cc1ccc2ccc3ccc(C)nc3c2n1.[Cl-].[H+].
What is the InChIKey of 2,9-dimethyl-1,10-phenanthroline;hydron;chloride?
The InChIKey is QUGBNSJLQDNNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2.ClH/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;/h3-8H,1-2H3;1H.
What are the key properties of 2,9-dimethyl-1,10-phenanthroline;hydron;chloride?
2,9-dimethyl-1,10-phenanthroline;hydron;chloride has a molecular weight of 244.72 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-1,10-phenanthroline;hydron;chloride is sourced from PubChem (CID 74764058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).