4-(chloromethyl)-2,6-dipyridin-4-ylpyridine

C16H12ClN3 — CID 118828222

IUPAC4-(chloromethyl)-2,6-dipyridin-4-ylpyridine
SMILESClCc1cc(-c2ccncc2)nc(-c2ccncc2)c1
InChIInChI=1S/C16H12ClN3/c17-11-12-9-15(13-1-5-18-6-2-13)20-16(10-12)14-3-7-19-8-4-14/h1-10H,11H2
InChIKeyWRQCVSUXFONPMF-UHFFFAOYSA-N
MW281.75 g/mol
LogP3.94
Rot. Bonds3

About 4-(chloromethyl)-2,6-dipyridin-4-ylpyridine

4-(chloromethyl)-2,6-dipyridin-4-ylpyridine (PubChem CID 118828222) has the molecular formula C16H12ClN3 and a molecular weight of 281.75 g/mol. Its IUPAC name is 4-(chloromethyl)-2,6-dipyridin-4-ylpyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2,6-dipyridin-4-ylpyridine
PubChem CID118828222
Molecular FormulaC16H12ClN3
Molecular Weight281.75 g/mol
Exact Mass281.07
IUPAC Name4-(chloromethyl)-2,6-dipyridin-4-ylpyridine
SMILESClCc1cc(-c2ccncc2)nc(-c2ccncc2)c1
InChIInChI=1S/C16H12ClN3/c17-11-12-9-15(13-1-5-18-6-2-13)20-16(10-12)14-3-7-19-8-4-14/h1-10H,11H2
InChIKeyWRQCVSUXFONPMF-UHFFFAOYSA-N
XLogP3.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2,6-dipyridin-4-ylpyridine?
The IUPAC name of 4-(chloromethyl)-2,6-dipyridin-4-ylpyridine (CID 118828222) is 4-(chloromethyl)-2,6-dipyridin-4-ylpyridine.
What is the SMILES notation for 4-(chloromethyl)-2,6-dipyridin-4-ylpyridine?
The canonical SMILES for 4-(chloromethyl)-2,6-dipyridin-4-ylpyridine is ClCc1cc(-c2ccncc2)nc(-c2ccncc2)c1.
What is the InChIKey of 4-(chloromethyl)-2,6-dipyridin-4-ylpyridine?
The InChIKey is WRQCVSUXFONPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3/c17-11-12-9-15(13-1-5-18-6-2-13)20-16(10-12)14-3-7-19-8-4-14/h1-10H,11H2.
What are the key properties of 4-(chloromethyl)-2,6-dipyridin-4-ylpyridine?
4-(chloromethyl)-2,6-dipyridin-4-ylpyridine has a molecular weight of 281.75 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2,6-dipyridin-4-ylpyridine is sourced from PubChem (CID 118828222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).