2,7-dichloro-1,8-phenanthroline

C12H6Cl2N2 — CID 14040331

IUPAC2,7-dichloro-1,8-phenanthroline
SMILESClc1ccc2ccc3c(Cl)nccc3c2n1
InChIInChI=1S/C12H6Cl2N2/c13-10-4-2-7-1-3-9-8(11(7)16-10)5-6-15-12(9)14/h1-6H
InChIKeyAVHQZPHJBDPIHH-UHFFFAOYSA-N
MW249.10 g/mol
LogP4.09
Rot. Bonds

About 2,7-dichloro-1,8-phenanthroline

2,7-dichloro-1,8-phenanthroline (PubChem CID 14040331) has the molecular formula C12H6Cl2N2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 2,7-dichloro-1,8-phenanthroline.

Molecular Properties

Compound Name2,7-dichloro-1,8-phenanthroline
PubChem CID14040331
Molecular FormulaC12H6Cl2N2
Molecular Weight249.10 g/mol
Exact Mass247.99
IUPAC Name2,7-dichloro-1,8-phenanthroline
SMILESClc1ccc2ccc3c(Cl)nccc3c2n1
InChIInChI=1S/C12H6Cl2N2/c13-10-4-2-7-1-3-9-8(11(7)16-10)5-6-15-12(9)14/h1-6H
InChIKeyAVHQZPHJBDPIHH-UHFFFAOYSA-N
XLogP4.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,7-dichloro-1,8-phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-5-iodo-6-methylisoquinoline
CID 58466468
2,5-dichloro-1,8-naphthyridine
CID 15588316
4-chloro-9-methyl-8-propan-2-ylbenzo[f]isoquinoline
CID 162482600
2-chloro-9-pyridin-2-yl-1,10-phenanthroline
CID 170902643
1-chloro-5-methoxyisoquinolin-6-ol
CID 136600108
2,7-dichloro-8-methylquinoline
CID 53217380
1-chloro-6-fluoroisoquinoline-5-carbonitrile
CID 154729639
1-chloro-5-hydroxyisoquinoline-6-carboxylic acid
CID 84688765
(2-chloro-1,7-naphthyridin-8-yl) fluoromethanesulfonate
CID 141168061
(8-chloro-1,7-naphthyridin-2-yl)-methylidyneazanium
CID 163792680
1-chloro-6-methoxy-5-methylsulfanylisoquinoline
CID 22250209
4,9-dichloroquinolino[7,8-h]quinoline;palladium(2+);dichloride
CID 10162595

Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-1,8-phenanthroline?
The IUPAC name of 2,7-dichloro-1,8-phenanthroline (CID 14040331) is 2,7-dichloro-1,8-phenanthroline.
What is the SMILES notation for 2,7-dichloro-1,8-phenanthroline?
The canonical SMILES for 2,7-dichloro-1,8-phenanthroline is Clc1ccc2ccc3c(Cl)nccc3c2n1.
What is the InChIKey of 2,7-dichloro-1,8-phenanthroline?
The InChIKey is AVHQZPHJBDPIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2/c13-10-4-2-7-1-3-9-8(11(7)16-10)5-6-15-12(9)14/h1-6H.
What are the key properties of 2,7-dichloro-1,8-phenanthroline?
2,7-dichloro-1,8-phenanthroline has a molecular weight of 249.10 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-1,8-phenanthroline is sourced from PubChem (CID 14040331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).