3-[(2-chloro-4-methylphenoxy)methyl]pyridine

C13H12ClNO — CID 121427496

IUPAC3-[(2-chloro-4-methylphenoxy)methyl]pyridine
SMILESCc1ccc(OCc2cccnc2)c(Cl)c1
InChIInChI=1S/C13H12ClNO/c1-10-4-5-13(12(14)7-10)16-9-11-3-2-6-15-8-11/h2-8H,9H2,1H3
InChIKeyNAHVFUZWXJMEMM-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.62
Rot. Bonds3

About 3-[(2-chloro-4-methylphenoxy)methyl]pyridine

3-[(2-chloro-4-methylphenoxy)methyl]pyridine (PubChem CID 121427496) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 3-[(2-chloro-4-methylphenoxy)methyl]pyridine.

Molecular Properties

Compound Name3-[(2-chloro-4-methylphenoxy)methyl]pyridine
PubChem CID121427496
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name3-[(2-chloro-4-methylphenoxy)methyl]pyridine
SMILESCc1ccc(OCc2cccnc2)c(Cl)c1
InChIInChI=1S/C13H12ClNO/c1-10-4-5-13(12(14)7-10)16-9-11-3-2-6-15-8-11/h2-8H,9H2,1H3
InChIKeyNAHVFUZWXJMEMM-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

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Related Compounds

4-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 59391367
(1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 113389810
5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 63324438
N-methyl-1-[5-methyl-2-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 63323196
[4-chloro-2-methyl-5-(pyridin-3-ylmethoxy)phenyl]boronic acid
CID 56776616
[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine
CID 62669892
4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline
CID 107498882
5-[(2-chloro-4-methylphenoxy)methyl]-N-methylpyridin-2-amine
CID 55104810
1-(3-chloro-4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 17157336
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
3-[(4-ethyl-2-methylphenoxy)methyl]pyridine
CID 176960080
3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine
CID 112828338

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-methylphenoxy)methyl]pyridine?
The IUPAC name of 3-[(2-chloro-4-methylphenoxy)methyl]pyridine (CID 121427496) is 3-[(2-chloro-4-methylphenoxy)methyl]pyridine.
What is the SMILES notation for 3-[(2-chloro-4-methylphenoxy)methyl]pyridine?
The canonical SMILES for 3-[(2-chloro-4-methylphenoxy)methyl]pyridine is Cc1ccc(OCc2cccnc2)c(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-methylphenoxy)methyl]pyridine?
The InChIKey is NAHVFUZWXJMEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-10-4-5-13(12(14)7-10)16-9-11-3-2-6-15-8-11/h2-8H,9H2,1H3.
What are the key properties of 3-[(2-chloro-4-methylphenoxy)methyl]pyridine?
3-[(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 3-[(2-chloro-4-methylphenoxy)methyl]pyridine is sourced from PubChem (CID 121427496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).