2-chloro-9-pyridin-2-yl-1,10-phenanthroline

C17H10ClN3 — CID 170902643

IUPAC2-chloro-9-pyridin-2-yl-1,10-phenanthroline
SMILESClc1ccc2ccc3ccc(-c4ccccn4)nc3c2n1
InChIInChI=1S/C17H10ClN3/c18-15-9-7-12-5-4-11-6-8-14(13-3-1-2-10-19-13)20-16(11)17(12)21-15/h1-10H
InChIKeyZUMKAKCIJKFWGG-UHFFFAOYSA-N
MW291.74 g/mol
LogP4.50
Rot. Bonds1

About 2-chloro-9-pyridin-2-yl-1,10-phenanthroline

2-chloro-9-pyridin-2-yl-1,10-phenanthroline (PubChem CID 170902643) has the molecular formula C17H10ClN3 and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-chloro-9-pyridin-2-yl-1,10-phenanthroline.

Molecular Properties

Compound Name2-chloro-9-pyridin-2-yl-1,10-phenanthroline
PubChem CID170902643
Molecular FormulaC17H10ClN3
Molecular Weight291.74 g/mol
Exact Mass291.06
IUPAC Name2-chloro-9-pyridin-2-yl-1,10-phenanthroline
SMILESClc1ccc2ccc3ccc(-c4ccccn4)nc3c2n1
InChIInChI=1S/C17H10ClN3/c18-15-9-7-12-5-4-11-6-8-14(13-3-1-2-10-19-13)20-16(11)17(12)21-15/h1-10H
InChIKeyZUMKAKCIJKFWGG-UHFFFAOYSA-N
XLogP4.50
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-anthracen-9-yl-9-pyridin-2-yl-1,10-phenanthroline
CID 171732364
2-chloro-3-fluoro-6-pyridin-2-ylpyridine
CID 175788383
1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+)
CID 138986830
2,6-dipyridin-2-ylpyridine;trichlorovanadium
CID 20784145
2-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167567
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-pyridin-2-yl-1,10-phenanthroline?
The IUPAC name of 2-chloro-9-pyridin-2-yl-1,10-phenanthroline (CID 170902643) is 2-chloro-9-pyridin-2-yl-1,10-phenanthroline.
What is the SMILES notation for 2-chloro-9-pyridin-2-yl-1,10-phenanthroline?
The canonical SMILES for 2-chloro-9-pyridin-2-yl-1,10-phenanthroline is Clc1ccc2ccc3ccc(-c4ccccn4)nc3c2n1.
What is the InChIKey of 2-chloro-9-pyridin-2-yl-1,10-phenanthroline?
The InChIKey is ZUMKAKCIJKFWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3/c18-15-9-7-12-5-4-11-6-8-14(13-3-1-2-10-19-13)20-16(11)17(12)21-15/h1-10H.
What are the key properties of 2-chloro-9-pyridin-2-yl-1,10-phenanthroline?
2-chloro-9-pyridin-2-yl-1,10-phenanthroline has a molecular weight of 291.74 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-pyridin-2-yl-1,10-phenanthroline is sourced from PubChem (CID 170902643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).