3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine

C14H14ClNO — CID 112828338

IUPAC3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine
SMILESCc1cc(OCc2cccnc2)cc(C)c1Cl
InChIInChI=1S/C14H14ClNO/c1-10-6-13(7-11(2)14(10)15)17-9-12-4-3-5-16-8-12/h3-8H,9H2,1-2H3
InChIKeyXQKRIMXLDYSTBN-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.93
Rot. Bonds3

About 3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine

3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine (PubChem CID 112828338) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine.

Molecular Properties

Compound Name3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine
PubChem CID112828338
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine
SMILESCc1cc(OCc2cccnc2)cc(C)c1Cl
InChIInChI=1S/C14H14ClNO/c1-10-6-13(7-11(2)14(10)15)17-9-12-4-3-5-16-8-12/h3-8H,9H2,1-2H3
InChIKeyXQKRIMXLDYSTBN-UHFFFAOYSA-N
XLogP3.93
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
3-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 121427496
3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline
CID 63690803
1,7-dimethyl-5-(pyridin-3-ylmethoxy)indole-2-carboxylic acid
CID 170299537
[4-chloro-2-methyl-5-(pyridin-3-ylmethoxy)phenyl]boronic acid
CID 56776616
4-[(4-chloro-3,5-dimethylphenoxy)methyl]aniline
CID 22688136
1-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]piperazine
CID 83137838
3-[(4-ethyl-2-methylphenoxy)methyl]pyridine
CID 176960080
2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]acetonitrile
CID 19050147
3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde
CID 16770145
3-[(7-methoxynaphthalen-2-yl)oxymethyl]pyridine
CID 166203848

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine?
The IUPAC name of 3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine (CID 112828338) is 3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine.
What is the SMILES notation for 3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine?
The canonical SMILES for 3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine is Cc1cc(OCc2cccnc2)cc(C)c1Cl.
What is the InChIKey of 3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine?
The InChIKey is XQKRIMXLDYSTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-10-6-13(7-11(2)14(10)15)17-9-12-4-3-5-16-8-12/h3-8H,9H2,1-2H3.
What are the key properties of 3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine?
3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine has a molecular weight of 247.72 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine is sourced from PubChem (CID 112828338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).