3-methyl-7-pyridin-2-yl-2,8-phenanthroline

C18H13N3 — CID 168852602

IUPAC3-methyl-7-pyridin-2-yl-2,8-phenanthroline
SMILESCc1cc2ccc3c(-c4ccccn4)nccc3c2cn1
InChIInChI=1S/C18H13N3/c1-12-10-13-5-6-15-14(16(13)11-21-12)7-9-20-18(15)17-4-2-3-8-19-17/h2-11H,1H3
InChIKeyNNMWOPQUFNJJGR-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.15
Rot. Bonds1

About 3-methyl-7-pyridin-2-yl-2,8-phenanthroline

3-methyl-7-pyridin-2-yl-2,8-phenanthroline (PubChem CID 168852602) has the molecular formula C18H13N3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-methyl-7-pyridin-2-yl-2,8-phenanthroline.

Molecular Properties

Compound Name3-methyl-7-pyridin-2-yl-2,8-phenanthroline
PubChem CID168852602
Molecular FormulaC18H13N3
Molecular Weight271.32 g/mol
Exact Mass271.11
IUPAC Name3-methyl-7-pyridin-2-yl-2,8-phenanthroline
SMILESCc1cc2ccc3c(-c4ccccn4)nccc3c2cn1
InChIInChI=1S/C18H13N3/c1-12-10-13-5-6-15-14(16(13)11-21-12)7-9-20-18(15)17-4-2-3-8-19-17/h2-11H,1H3
InChIKeyNNMWOPQUFNJJGR-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

1,9-dipyridin-2-ylpyrido[4,3-g]isoquinoline
CID 102186037
3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline
CID 172522612
4-(6-methyl-2-pyridinyl)-3,7-phenanthroline
CID 168852634
8-methyl-1-phenylnaphtho[2,1-f]isoquinoline
CID 118595090
2,3-dipyridin-2-ylpyrazine;ethane;3,4,7,8-tetramethyl-1,10-phenanthroline
CID 144711240
3,7,8-trimethylisoquinoline
CID 155669978
6-methyl-4-pyridin-2-ylpyridine-3-carbonitrile
CID 82112135
4-methyl-2-pyridin-2-ylpyridin-3-ol
CID 142200360
8-methyl-1-(3-methylphenyl)naphtho[2,1-f]isoquinoline
CID 118595089
7-(3-methylphenyl)-2,8-phenanthroline
CID 168852625
5,8-dimethyl-2,3-dipyridin-2-ylquinoxaline
CID 21026689
9-fluoro-3,8-dimethylbenzo[h]isoquinoline
CID 59928925

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-pyridin-2-yl-2,8-phenanthroline?
The IUPAC name of 3-methyl-7-pyridin-2-yl-2,8-phenanthroline (CID 168852602) is 3-methyl-7-pyridin-2-yl-2,8-phenanthroline.
What is the SMILES notation for 3-methyl-7-pyridin-2-yl-2,8-phenanthroline?
The canonical SMILES for 3-methyl-7-pyridin-2-yl-2,8-phenanthroline is Cc1cc2ccc3c(-c4ccccn4)nccc3c2cn1.
What is the InChIKey of 3-methyl-7-pyridin-2-yl-2,8-phenanthroline?
The InChIKey is NNMWOPQUFNJJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3/c1-12-10-13-5-6-15-14(16(13)11-21-12)7-9-20-18(15)17-4-2-3-8-19-17/h2-11H,1H3.
What are the key properties of 3-methyl-7-pyridin-2-yl-2,8-phenanthroline?
3-methyl-7-pyridin-2-yl-2,8-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 3-methyl-7-pyridin-2-yl-2,8-phenanthroline is sourced from PubChem (CID 168852602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).