2-chloro-4-pyridin-2-ylphenanthro[9,10-d]pyrimidine

C21H12ClN3 — CID 122605240

IUPAC2-chloro-4-pyridin-2-ylphenanthro[9,10-d]pyrimidine
SMILESClc1nc(-c2ccccn2)c2c3ccccc3c3ccccc3c2n1
InChIInChI=1S/C21H12ClN3/c22-21-24-19-16-10-4-2-8-14(16)13-7-1-3-9-15(13)18(19)20(25-21)17-11-5-6-12-23-17/h1-12H
InChIKeyVHMHJFFALFNCQG-UHFFFAOYSA-N
MW341.80 g/mol
LogP5.65
Rot. Bonds1

About 2-chloro-4-pyridin-2-ylphenanthro[9,10-d]pyrimidine

2-chloro-4-pyridin-2-ylphenanthro[9,10-d]pyrimidine (PubChem CID 122605240) has the molecular formula C21H12ClN3 and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-chloro-4-pyridin-2-ylphenanthro[9,10-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-pyridin-2-ylphenanthro[9,10-d]pyrimidine
PubChem CID122605240
Molecular FormulaC21H12ClN3
Molecular Weight341.80 g/mol
Exact Mass341.07
IUPAC Name2-chloro-4-pyridin-2-ylphenanthro[9,10-d]pyrimidine
SMILESClc1nc(-c2ccccn2)c2c3ccccc3c3ccccc3c2n1
InChIInChI=1S/C21H12ClN3/c22-21-24-19-16-10-4-2-8-14(16)13-7-1-3-9-15(13)18(19)20(25-21)17-11-5-6-12-23-17/h1-12H
InChIKeyVHMHJFFALFNCQG-UHFFFAOYSA-N
XLogP5.65
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.80
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-4-pyridin-2-ylphenanthro[9,10-d]pyrimidine 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

2-chloro-3-pyridin-2-ylbenzo[f]quinoxaline
CID 146554889
2,4-dichloro-8-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 134399047
5,8-dimethyl-2,3-dipyridin-2-ylquinoxaline
CID 21026689
18,18-dimethyl-3-(4-pyridin-2-ylphenanthro[9,10-d]pyrimidin-2-yl)-25-oxa-3-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2(10),4,6,8,11,13,15,19,21,23-undecaene
CID 164837271
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
azane;cobalt(3+);bis(2-pyridin-2-ylpyridine);triperchlorate
CID 139154451

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-pyridin-2-ylphenanthro[9,10-d]pyrimidine?
The IUPAC name of 2-chloro-4-pyridin-2-ylphenanthro[9,10-d]pyrimidine (CID 122605240) is 2-chloro-4-pyridin-2-ylphenanthro[9,10-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-pyridin-2-ylphenanthro[9,10-d]pyrimidine?
The canonical SMILES for 2-chloro-4-pyridin-2-ylphenanthro[9,10-d]pyrimidine is Clc1nc(-c2ccccn2)c2c3ccccc3c3ccccc3c2n1.
What is the InChIKey of 2-chloro-4-pyridin-2-ylphenanthro[9,10-d]pyrimidine?
The InChIKey is VHMHJFFALFNCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClN3/c22-21-24-19-16-10-4-2-8-14(16)13-7-1-3-9-15(13)18(19)20(25-21)17-11-5-6-12-23-17/h1-12H.
What are the key properties of 2-chloro-4-pyridin-2-ylphenanthro[9,10-d]pyrimidine?
2-chloro-4-pyridin-2-ylphenanthro[9,10-d]pyrimidine has a molecular weight of 341.80 g/mol, XLogP of 5.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-pyridin-2-ylphenanthro[9,10-d]pyrimidine is sourced from PubChem (CID 122605240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).