2,3,5-trichloro-6-(pyridin-3-ylmethyl)pyridine

C11H7Cl3N2 — CID 102752752

IUPAC2,3,5-trichloro-6-(pyridin-3-ylmethyl)pyridine
SMILESClc1cc(Cl)c(Cc2cccnc2)nc1Cl
InChIInChI=1S/C11H7Cl3N2/c12-8-5-9(13)11(14)16-10(8)4-7-2-1-3-15-6-7/h1-3,5-6H,4H2
InChIKeyPXOLZEOUEJNPKE-UHFFFAOYSA-N
MW273.55 g/mol
LogP4.03
Rot. Bonds2

About 2,3,5-trichloro-6-(pyridin-3-ylmethyl)pyridine

2,3,5-trichloro-6-(pyridin-3-ylmethyl)pyridine (PubChem CID 102752752) has the molecular formula C11H7Cl3N2 and a molecular weight of 273.55 g/mol. Its IUPAC name is 2,3,5-trichloro-6-(pyridin-3-ylmethyl)pyridine.

Molecular Properties

Compound Name2,3,5-trichloro-6-(pyridin-3-ylmethyl)pyridine
PubChem CID102752752
Molecular FormulaC11H7Cl3N2
Molecular Weight273.55 g/mol
Exact Mass271.97
IUPAC Name2,3,5-trichloro-6-(pyridin-3-ylmethyl)pyridine
SMILESClc1cc(Cl)c(Cc2cccnc2)nc1Cl
InChIInChI=1S/C11H7Cl3N2/c12-8-5-9(13)11(14)16-10(8)4-7-2-1-3-15-6-7/h1-3,5-6H,4H2
InChIKeyPXOLZEOUEJNPKE-UHFFFAOYSA-N
XLogP4.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.55
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 102750389
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
3-[(2,5-dichlorophenyl)methyl]pyridine
CID 102311529
4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine
CID 80550393
2-chloro-5-methyl-4-(pyridin-3-ylmethyl)pyrimidine
CID 104737123
3,6-dichloro-4-(pyridin-3-ylmethyl)pyridazine
CID 104737129
2-(pyridin-3-ylmethylamino)ethanol;2,3,5-trichloro-6-[(3,5,6-trichloro-2-pyridinyl)oxy]pyridine
CID 88695715
4-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 13276723
4-ethyl-2,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidine
CID 134451931
2-chloro-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62553257
5-fluoro-4-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 104737174
4,5-difluoro-2-(pyridin-3-ylmethyl)aniline
CID 90291449

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-(pyridin-3-ylmethyl)pyridine?
The IUPAC name of 2,3,5-trichloro-6-(pyridin-3-ylmethyl)pyridine (CID 102752752) is 2,3,5-trichloro-6-(pyridin-3-ylmethyl)pyridine.
What is the SMILES notation for 2,3,5-trichloro-6-(pyridin-3-ylmethyl)pyridine?
The canonical SMILES for 2,3,5-trichloro-6-(pyridin-3-ylmethyl)pyridine is Clc1cc(Cl)c(Cc2cccnc2)nc1Cl.
What is the InChIKey of 2,3,5-trichloro-6-(pyridin-3-ylmethyl)pyridine?
The InChIKey is PXOLZEOUEJNPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2/c12-8-5-9(13)11(14)16-10(8)4-7-2-1-3-15-6-7/h1-3,5-6H,4H2.
What are the key properties of 2,3,5-trichloro-6-(pyridin-3-ylmethyl)pyridine?
2,3,5-trichloro-6-(pyridin-3-ylmethyl)pyridine has a molecular weight of 273.55 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-(pyridin-3-ylmethyl)pyridine is sourced from PubChem (CID 102752752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).