4-(6-methyl-2-pyridinyl)-3,7-phenanthroline

C18H13N3 — CID 168852634

IUPAC4-(6-methyl-2-pyridinyl)-3,7-phenanthroline
SMILESCc1cccc(-c2nccc3c2ccc2ncccc23)n1
InChIInChI=1S/C18H13N3/c1-12-4-2-6-17(21-12)18-15-7-8-16-14(5-3-10-19-16)13(15)9-11-20-18/h2-11H,1H3
InChIKeyVRPSTGXATYKZTJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.15
Rot. Bonds1

About 4-(6-methyl-2-pyridinyl)-3,7-phenanthroline

4-(6-methyl-2-pyridinyl)-3,7-phenanthroline (PubChem CID 168852634) has the molecular formula C18H13N3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(6-methyl-2-pyridinyl)-3,7-phenanthroline.

Molecular Properties

Compound Name4-(6-methyl-2-pyridinyl)-3,7-phenanthroline
PubChem CID168852634
Molecular FormulaC18H13N3
Molecular Weight271.32 g/mol
Exact Mass271.11
IUPAC Name4-(6-methyl-2-pyridinyl)-3,7-phenanthroline
SMILESCc1cccc(-c2nccc3c2ccc2ncccc23)n1
InChIInChI=1S/C18H13N3/c1-12-4-2-6-17(21-12)18-15-7-8-16-14(5-3-10-19-16)13(15)9-11-20-18/h2-11H,1H3
InChIKeyVRPSTGXATYKZTJ-UHFFFAOYSA-N
XLogP4.15
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-7-pyridin-2-yl-2,8-phenanthroline
CID 168852602
N-[5-(6-methyl-2-pyridinyl)quinolin-6-yl]-1,3-thiazol-2-amine
CID 90742822
iridium;8-methyl-4-phenyl-3,7-phenanthroline
CID 168852706
2-methyl-3,7-phenanthroline
CID 129060966
6,7-dimethyl-2,3-bis(6-methyl-2-pyridinyl)quinoxaline
CID 15427002
2-methyl-8-[4-(5-methylquinolin-6-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778917
benzo[f]quinoline;iodomethane
CID 21121996
ethane;3-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridazine
CID 143616936
6-(6-methyl-2-pyridinyl)-5-(1,5-naphthyridin-2-yl)imidazo[2,1-b][1,3]thiazole
CID 69221729
5-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62874875
methanethioamide;4-[3-(6-methyl-2-pyridinyl)-1-phenylpyrazol-4-yl]quinoline
CID 159724711
N,N-dimethyl-2-(6-methyl-2-pyridinyl)-3-quinolin-6-ylimidazo[1,2-a]pyrimidin-7-amine
CID 10317641

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-pyridinyl)-3,7-phenanthroline?
The IUPAC name of 4-(6-methyl-2-pyridinyl)-3,7-phenanthroline (CID 168852634) is 4-(6-methyl-2-pyridinyl)-3,7-phenanthroline.
What is the SMILES notation for 4-(6-methyl-2-pyridinyl)-3,7-phenanthroline?
The canonical SMILES for 4-(6-methyl-2-pyridinyl)-3,7-phenanthroline is Cc1cccc(-c2nccc3c2ccc2ncccc23)n1.
What is the InChIKey of 4-(6-methyl-2-pyridinyl)-3,7-phenanthroline?
The InChIKey is VRPSTGXATYKZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3/c1-12-4-2-6-17(21-12)18-15-7-8-16-14(5-3-10-19-16)13(15)9-11-20-18/h2-11H,1H3.
What are the key properties of 4-(6-methyl-2-pyridinyl)-3,7-phenanthroline?
4-(6-methyl-2-pyridinyl)-3,7-phenanthroline has a molecular weight of 271.32 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-pyridinyl)-3,7-phenanthroline is sourced from PubChem (CID 168852634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).