2-methyl-1,10-phenanthroline

C13H10N2 — CID 4913356

IUPAC2-methyl-1,10-phenanthroline
SMILESCc1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C13H10N2/c1-9-4-5-11-7-6-10-3-2-8-14-12(10)13(11)15-9/h2-8H,1H3
InChIKeyLQZDYPHFVGRHKD-UHFFFAOYSA-N
MW194.24 g/mol
LogP3.09
Rot. Bonds

About 2-methyl-1,10-phenanthroline

2-methyl-1,10-phenanthroline (PubChem CID 4913356) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-methyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-methyl-1,10-phenanthroline
PubChem CID4913356
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name2-methyl-1,10-phenanthroline
SMILESCc1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C13H10N2/c1-9-4-5-11-7-6-10-3-2-8-14-12(10)13(11)15-9/h2-8H,1H3
InChIKeyLQZDYPHFVGRHKD-UHFFFAOYSA-N
XLogP3.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
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 2-methyl-1,10-phenanthroline?
The IUPAC name of 2-methyl-1,10-phenanthroline (CID 4913356) is 2-methyl-1,10-phenanthroline.
What is the SMILES notation for 2-methyl-1,10-phenanthroline?
The canonical SMILES for 2-methyl-1,10-phenanthroline is Cc1ccc2ccc3cccnc3c2n1.
What is the InChIKey of 2-methyl-1,10-phenanthroline?
The InChIKey is LQZDYPHFVGRHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-9-4-5-11-7-6-10-3-2-8-14-12(10)13(11)15-9/h2-8H,1H3.
What are the key properties of 2-methyl-1,10-phenanthroline?
2-methyl-1,10-phenanthroline has a molecular weight of 194.24 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,10-phenanthroline is sourced from PubChem (CID 4913356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).