2-methyl-3,7-phenanthroline

C13H10N2 — CID 129060966

IUPAC2-methyl-3,7-phenanthroline
SMILESCc1cc2c(ccc3ncccc32)cn1
InChIInChI=1S/C13H10N2/c1-9-7-12-10(8-15-9)4-5-13-11(12)3-2-6-14-13/h2-8H,1H3
InChIKeyBMQDWSUFUQXOPR-UHFFFAOYSA-N
MW194.24 g/mol
LogP3.09
Rot. Bonds

About 2-methyl-3,7-phenanthroline

2-methyl-3,7-phenanthroline (PubChem CID 129060966) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-methyl-3,7-phenanthroline.

Molecular Properties

Compound Name2-methyl-3,7-phenanthroline
PubChem CID129060966
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name2-methyl-3,7-phenanthroline
SMILESCc1cc2c(ccc3ncccc32)cn1
InChIInChI=1S/C13H10N2/c1-9-7-12-10(8-15-9)4-5-13-11(12)3-2-6-14-13/h2-8H,1H3
InChIKeyBMQDWSUFUQXOPR-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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Related Compounds

2,9-dimethyl-3,8-phenanthroline
CID 132510988
9-methylphenanthridine
CID 10987123
benzo[f]quinoline;iodomethane
CID 21121996
2,7-phenanthroline;1,4-xylene
CID 67025193
8,25-diazaheptacyclo[16.12.0.02,15.04,13.07,12.020,29.021,26]triaconta-1(18),2(15),3,5,7(12),8,10,13,19,21(26),22,24,27,29-tetradecaene
CID 170710818
6-methylquinoline
CID 7059
benzo[b][1,7]phenanthrolin-10-amine
CID 10332108
3-methyl-1,7-phenanthrolin-2-amine
CID 63231728
methanol;1,7-phenanthroline
CID 174496893
1,7-phenanthroline;vanadium
CID 174318955
1,7-phenanthroline;dihydrochloride
CID 174688507
2-methylphenanthridine
CID 14384826

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,7-phenanthroline?
The IUPAC name of 2-methyl-3,7-phenanthroline (CID 129060966) is 2-methyl-3,7-phenanthroline.
What is the SMILES notation for 2-methyl-3,7-phenanthroline?
The canonical SMILES for 2-methyl-3,7-phenanthroline is Cc1cc2c(ccc3ncccc32)cn1.
What is the InChIKey of 2-methyl-3,7-phenanthroline?
The InChIKey is BMQDWSUFUQXOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-9-7-12-10(8-15-9)4-5-13-11(12)3-2-6-14-13/h2-8H,1H3.
What are the key properties of 2-methyl-3,7-phenanthroline?
2-methyl-3,7-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-3,7-phenanthroline is sourced from PubChem (CID 129060966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).