3-[(2,5-dichlorophenyl)methyl]pyridine

C12H9Cl2N — CID 102311529

IUPAC3-[(2,5-dichlorophenyl)methyl]pyridine
SMILESClc1ccc(Cl)c(Cc2cccnc2)c1
InChIInChI=1S/C12H9Cl2N/c13-11-3-4-12(14)10(7-11)6-9-2-1-5-15-8-9/h1-5,7-8H,6H2
InChIKeySZAMKBQINPZSTO-UHFFFAOYSA-N
MW238.12 g/mol
LogP3.98
Rot. Bonds2

About 3-[(2,5-dichlorophenyl)methyl]pyridine

3-[(2,5-dichlorophenyl)methyl]pyridine (PubChem CID 102311529) has the molecular formula C12H9Cl2N and a molecular weight of 238.12 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)methyl]pyridine.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)methyl]pyridine
PubChem CID102311529
Molecular FormulaC12H9Cl2N
Molecular Weight238.12 g/mol
Exact Mass237.01
IUPAC Name3-[(2,5-dichlorophenyl)methyl]pyridine
SMILESClc1ccc(Cl)c(Cc2cccnc2)c1
InChIInChI=1S/C12H9Cl2N/c13-11-3-4-12(14)10(7-11)6-9-2-1-5-15-8-9/h1-5,7-8H,6H2
InChIKeySZAMKBQINPZSTO-UHFFFAOYSA-N
XLogP3.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[(2,5-dichlorophenyl)methyl]pyridine 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

N-[[5-chloro-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine
CID 104736872
[1-(2,5-dichlorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105309892
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
3,6-dichloro-4-(pyridin-3-ylmethyl)pyridazine
CID 104737129
2-(2,5-dichlorophenyl)-1-pyridin-3-ylethanamine
CID 65321274
4,5-difluoro-2-(pyridin-3-ylmethyl)aniline
CID 90291449
3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 39869127
2,3,5-trichloro-6-(pyridin-3-ylmethyl)pyridine
CID 102752752
2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropan-1-amine
CID 117048430
[1-(2,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 105200159
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one
CID 55096177

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)methyl]pyridine?
The IUPAC name of 3-[(2,5-dichlorophenyl)methyl]pyridine (CID 102311529) is 3-[(2,5-dichlorophenyl)methyl]pyridine.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)methyl]pyridine?
The canonical SMILES for 3-[(2,5-dichlorophenyl)methyl]pyridine is Clc1ccc(Cl)c(Cc2cccnc2)c1.
What is the InChIKey of 3-[(2,5-dichlorophenyl)methyl]pyridine?
The InChIKey is SZAMKBQINPZSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N/c13-11-3-4-12(14)10(7-11)6-9-2-1-5-15-8-9/h1-5,7-8H,6H2.
What are the key properties of 3-[(2,5-dichlorophenyl)methyl]pyridine?
3-[(2,5-dichlorophenyl)methyl]pyridine has a molecular weight of 238.12 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)methyl]pyridine is sourced from PubChem (CID 102311529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).