5-chloro-2-[(6-methyl-3-pyridinyl)methyl]pyridine

C12H11ClN2 — CID 121264421

IUPAC5-chloro-2-[(6-methyl-3-pyridinyl)methyl]pyridine
SMILESCc1ccc(Cc2ccc(Cl)cn2)cn1
InChIInChI=1S/C12H11ClN2/c1-9-2-3-10(7-14-9)6-12-5-4-11(13)8-15-12/h2-5,7-8H,6H2,1H3
InChIKeyLNGGFFQQLUZESY-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.03
Rot. Bonds2

About 5-chloro-2-[(6-methyl-3-pyridinyl)methyl]pyridine

5-chloro-2-[(6-methyl-3-pyridinyl)methyl]pyridine (PubChem CID 121264421) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 5-chloro-2-[(6-methyl-3-pyridinyl)methyl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[(6-methyl-3-pyridinyl)methyl]pyridine
PubChem CID121264421
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name5-chloro-2-[(6-methyl-3-pyridinyl)methyl]pyridine
SMILESCc1ccc(Cc2ccc(Cl)cn2)cn1
InChIInChI=1S/C12H11ClN2/c1-9-2-3-10(7-14-9)6-12-5-4-11(13)8-15-12/h2-5,7-8H,6H2,1H3
InChIKeyLNGGFFQQLUZESY-UHFFFAOYSA-N
XLogP3.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-2-[(6-methyl-3-pyridinyl)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

(6-methyl-3-pyridinyl)methanamine;hydrobromide
CID 133057273
5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]aniline
CID 81275485
1-(5-chloro-2-pyridinyl)-N-methylmethanamine;hydrochloride
CID 162422867
2-[(5-chloro-2-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole
CID 162416554
5-chloro-3-[(5-ethyl-2-pyridinyl)methyl]pyridin-2-amine
CID 79738374
5-(3-chloro-2-methylpropyl)-2-methylpyridine
CID 64664823
1-(5-chloro-2-pyridinyl)-N,N-dimethylmethanamine
CID 126971830
2-methyl-5-[(6-pyridin-4-yl-3-pyridinyl)methyl]pyridine
CID 139319025
propan-2-yl 5-chloro-3-[[6-[2-(6-methyl-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine-1-carboxylate
CID 161192169
2-(2-bromo-3-methylbutyl)-5-chloropyridine
CID 63204010
5-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridine
CID 66827174
5-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzonitrile
CID 62995378

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(6-methyl-3-pyridinyl)methyl]pyridine?
The IUPAC name of 5-chloro-2-[(6-methyl-3-pyridinyl)methyl]pyridine (CID 121264421) is 5-chloro-2-[(6-methyl-3-pyridinyl)methyl]pyridine.
What is the SMILES notation for 5-chloro-2-[(6-methyl-3-pyridinyl)methyl]pyridine?
The canonical SMILES for 5-chloro-2-[(6-methyl-3-pyridinyl)methyl]pyridine is Cc1ccc(Cc2ccc(Cl)cn2)cn1.
What is the InChIKey of 5-chloro-2-[(6-methyl-3-pyridinyl)methyl]pyridine?
The InChIKey is LNGGFFQQLUZESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c1-9-2-3-10(7-14-9)6-12-5-4-11(13)8-15-12/h2-5,7-8H,6H2,1H3.
What are the key properties of 5-chloro-2-[(6-methyl-3-pyridinyl)methyl]pyridine?
5-chloro-2-[(6-methyl-3-pyridinyl)methyl]pyridine has a molecular weight of 218.69 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(6-methyl-3-pyridinyl)methyl]pyridine is sourced from PubChem (CID 121264421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).