6-(chloromethyl)-2,3-dipyridin-3-ylpyridine

C16H12ClN3 — CID 131870624

IUPAC6-(chloromethyl)-2,3-dipyridin-3-ylpyridine
SMILESClCc1ccc(-c2cccnc2)c(-c2cccnc2)n1
InChIInChI=1S/C16H12ClN3/c17-9-14-5-6-15(12-3-1-7-18-10-12)16(20-14)13-4-2-8-19-11-13/h1-8,10-11H,9H2
InChIKeyYQJIENSTCYPYSC-UHFFFAOYSA-N
MW281.75 g/mol
LogP3.94
Rot. Bonds3

About 6-(chloromethyl)-2,3-dipyridin-3-ylpyridine

6-(chloromethyl)-2,3-dipyridin-3-ylpyridine (PubChem CID 131870624) has the molecular formula C16H12ClN3 and a molecular weight of 281.75 g/mol. Its IUPAC name is 6-(chloromethyl)-2,3-dipyridin-3-ylpyridine.

Molecular Properties

Compound Name6-(chloromethyl)-2,3-dipyridin-3-ylpyridine
PubChem CID131870624
Molecular FormulaC16H12ClN3
Molecular Weight281.75 g/mol
Exact Mass281.07
IUPAC Name6-(chloromethyl)-2,3-dipyridin-3-ylpyridine
SMILESClCc1ccc(-c2cccnc2)c(-c2cccnc2)n1
InChIInChI=1S/C16H12ClN3/c17-9-14-5-6-15(12-3-1-7-18-10-12)16(20-14)13-4-2-8-19-11-13/h1-8,10-11H,9H2
InChIKeyYQJIENSTCYPYSC-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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Related Compounds

6-methyl-2,3-dipyridin-3-ylpyridine
CID 46316604
2,3-dipyridin-3-ylpyridine;methane
CID 174971096
2,3-dipyridin-3-ylpyridine;hydrobromide
CID 175062851
2,3-dipyridin-3-ylpyridine;ruthenium(3+);trichloride
CID 175008055
3-[2-(chloromethyl)phenyl]pyridine;hydrochloride
CID 89497165
4-(chloromethyl)-2-pyridin-3-yl-1,3-oxazole
CID 82125800
2,3-dipyridin-3-ylpyridine;platinum(2+);dibromide
CID 175132894
2,3-dipyridin-3-ylpyridine;ruthenium(3+);trichloride;hexahydrate
CID 175003948
calcium;2,3-dipyridin-3-ylpyridine;hydride
CID 174847287
2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetic acid
CID 131870101
3-[3-(chloromethyl)-4-pyridin-4-ylphenyl]pyridine
CID 46316472
3-[2-(chloromethyl)-5-pyridin-3-ylphenyl]pyridine
CID 46316469

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2,3-dipyridin-3-ylpyridine?
The IUPAC name of 6-(chloromethyl)-2,3-dipyridin-3-ylpyridine (CID 131870624) is 6-(chloromethyl)-2,3-dipyridin-3-ylpyridine.
What is the SMILES notation for 6-(chloromethyl)-2,3-dipyridin-3-ylpyridine?
The canonical SMILES for 6-(chloromethyl)-2,3-dipyridin-3-ylpyridine is ClCc1ccc(-c2cccnc2)c(-c2cccnc2)n1.
What is the InChIKey of 6-(chloromethyl)-2,3-dipyridin-3-ylpyridine?
The InChIKey is YQJIENSTCYPYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3/c17-9-14-5-6-15(12-3-1-7-18-10-12)16(20-14)13-4-2-8-19-11-13/h1-8,10-11H,9H2.
What are the key properties of 6-(chloromethyl)-2,3-dipyridin-3-ylpyridine?
6-(chloromethyl)-2,3-dipyridin-3-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 6-(chloromethyl)-2,3-dipyridin-3-ylpyridine is sourced from PubChem (CID 131870624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).