3-methyl-1,10-phenanthroline

C13H10N2 — CID 15783796

IUPAC3-methyl-1,10-phenanthroline
SMILESCc1cnc2c(ccc3cccnc32)c1
InChIInChI=1S/C13H10N2/c1-9-7-11-5-4-10-3-2-6-14-12(10)13(11)15-8-9/h2-8H,1H3
InChIKeyPBIOPYCIDCAUBZ-UHFFFAOYSA-N
MW194.24 g/mol
LogP3.09
Rot. Bonds

About 3-methyl-1,10-phenanthroline

3-methyl-1,10-phenanthroline (PubChem CID 15783796) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-methyl-1,10-phenanthroline.

Molecular Properties

Compound Name3-methyl-1,10-phenanthroline
PubChem CID15783796
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name3-methyl-1,10-phenanthroline
SMILESCc1cnc2c(ccc3cccnc32)c1
InChIInChI=1S/C13H10N2/c1-9-7-11-5-4-10-3-2-6-14-12(10)13(11)15-8-9/h2-8H,1H3
InChIKeyPBIOPYCIDCAUBZ-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 3-methyl-1,10-phenanthroline?
The IUPAC name of 3-methyl-1,10-phenanthroline (CID 15783796) is 3-methyl-1,10-phenanthroline.
What is the SMILES notation for 3-methyl-1,10-phenanthroline?
The canonical SMILES for 3-methyl-1,10-phenanthroline is Cc1cnc2c(ccc3cccnc32)c1.
What is the InChIKey of 3-methyl-1,10-phenanthroline?
The InChIKey is PBIOPYCIDCAUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-9-7-11-5-4-10-3-2-6-14-12(10)13(11)15-8-9/h2-8H,1H3.
What are the key properties of 3-methyl-1,10-phenanthroline?
3-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 3-methyl-1,10-phenanthroline is sourced from PubChem (CID 15783796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).