4-[(2-chloro-4-methylphenoxy)methyl]pyridine

C13H12ClNO — CID 59391367

IUPAC4-[(2-chloro-4-methylphenoxy)methyl]pyridine
SMILESCc1ccc(OCc2ccncc2)c(Cl)c1
InChIInChI=1S/C13H12ClNO/c1-10-2-3-13(12(14)8-10)16-9-11-4-6-15-7-5-11/h2-8H,9H2,1H3
InChIKeyFEIPQGPTOGRJRV-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.62
Rot. Bonds3

About 4-[(2-chloro-4-methylphenoxy)methyl]pyridine

4-[(2-chloro-4-methylphenoxy)methyl]pyridine (PubChem CID 59391367) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 4-[(2-chloro-4-methylphenoxy)methyl]pyridine.

Molecular Properties

Compound Name4-[(2-chloro-4-methylphenoxy)methyl]pyridine
PubChem CID59391367
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name4-[(2-chloro-4-methylphenoxy)methyl]pyridine
SMILESCc1ccc(OCc2ccncc2)c(Cl)c1
InChIInChI=1S/C13H12ClNO/c1-10-2-3-13(12(14)8-10)16-9-11-4-6-15-7-5-11/h2-8H,9H2,1H3
InChIKeyFEIPQGPTOGRJRV-UHFFFAOYSA-N
XLogP3.62
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(2-chloro-4-methylphenoxy)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

3-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 121427496
2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene
CID 63535207
[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine
CID 62669892
5-[(2-chloro-4-methylphenoxy)methyl]-N-methylpyridin-2-amine
CID 55104810
N-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 43505135
3-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine
CID 54923523
4-[(2-chloro-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 76953401
3-[(2-chloro-4-methylphenoxy)methyl]benzoic acid
CID 62669913
4-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 43141959
4-[(2-chloro-5-methylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 62466198
2-[(2-chloro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 80654623
5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774879

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-methylphenoxy)methyl]pyridine?
The IUPAC name of 4-[(2-chloro-4-methylphenoxy)methyl]pyridine (CID 59391367) is 4-[(2-chloro-4-methylphenoxy)methyl]pyridine.
What is the SMILES notation for 4-[(2-chloro-4-methylphenoxy)methyl]pyridine?
The canonical SMILES for 4-[(2-chloro-4-methylphenoxy)methyl]pyridine is Cc1ccc(OCc2ccncc2)c(Cl)c1.
What is the InChIKey of 4-[(2-chloro-4-methylphenoxy)methyl]pyridine?
The InChIKey is FEIPQGPTOGRJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-10-2-3-13(12(14)8-10)16-9-11-4-6-15-7-5-11/h2-8H,9H2,1H3.
What are the key properties of 4-[(2-chloro-4-methylphenoxy)methyl]pyridine?
4-[(2-chloro-4-methylphenoxy)methyl]pyridine has a molecular weight of 233.70 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-methylphenoxy)methyl]pyridine is sourced from PubChem (CID 59391367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).