3-[2-chloro-6-(phenoxymethyl)phenyl]pyridine

C18H14ClNO — CID 57297531

IUPAC3-[2-chloro-6-(phenoxymethyl)phenyl]pyridine
SMILESClc1cccc(COc2ccccc2)c1-c1cccnc1
InChIInChI=1S/C18H14ClNO/c19-17-10-4-6-15(13-21-16-8-2-1-3-9-16)18(17)14-7-5-11-20-12-14/h1-12H,13H2
InChIKeyDSCMYEARCNXLMQ-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.98
Rot. Bonds4

About 3-[2-chloro-6-(phenoxymethyl)phenyl]pyridine

3-[2-chloro-6-(phenoxymethyl)phenyl]pyridine (PubChem CID 57297531) has the molecular formula C18H14ClNO and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-[2-chloro-6-(phenoxymethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-[2-chloro-6-(phenoxymethyl)phenyl]pyridine
PubChem CID57297531
Molecular FormulaC18H14ClNO
Molecular Weight295.77 g/mol
Exact Mass295.08
IUPAC Name3-[2-chloro-6-(phenoxymethyl)phenyl]pyridine
SMILESClc1cccc(COc2ccccc2)c1-c1cccnc1
InChIInChI=1S/C18H14ClNO/c19-17-10-4-6-15(13-21-16-8-2-1-3-9-16)18(17)14-7-5-11-20-12-14/h1-12H,13H2
InChIKeyDSCMYEARCNXLMQ-UHFFFAOYSA-N
XLogP4.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-chloro-2-(phenoxymethyl)phenyl]pyridine
CID 90713874
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
4-chloro-3-pyridin-3-ylpyridin-2-amine
CID 119054057
3-[(4-chloro-1-benzothiophen-3-yl)methoxy]pyridine
CID 117170950
3-chloro-4-[2-[(3-fluoro-4-phenylphenoxy)methyl]phenyl]pyridine
CID 174448364
1-chloro-2-(3-phenoxypropyl)benzene
CID 174487660
[2-(phenoxymethyl)-3-pyridinyl]methanamine
CID 105467789
N-methyl-1-[2-(pyridin-3-yloxymethyl)phenyl]methanamine
CID 62451935
1-(phenoxymethyl)naphthalene
CID 588110
3-(3-phenoxypropoxy)pyridine
CID 86195847
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-6-(phenoxymethyl)phenyl]pyridine?
The IUPAC name of 3-[2-chloro-6-(phenoxymethyl)phenyl]pyridine (CID 57297531) is 3-[2-chloro-6-(phenoxymethyl)phenyl]pyridine.
What is the SMILES notation for 3-[2-chloro-6-(phenoxymethyl)phenyl]pyridine?
The canonical SMILES for 3-[2-chloro-6-(phenoxymethyl)phenyl]pyridine is Clc1cccc(COc2ccccc2)c1-c1cccnc1.
What is the InChIKey of 3-[2-chloro-6-(phenoxymethyl)phenyl]pyridine?
The InChIKey is DSCMYEARCNXLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO/c19-17-10-4-6-15(13-21-16-8-2-1-3-9-16)18(17)14-7-5-11-20-12-14/h1-12H,13H2.
What are the key properties of 3-[2-chloro-6-(phenoxymethyl)phenyl]pyridine?
3-[2-chloro-6-(phenoxymethyl)phenyl]pyridine has a molecular weight of 295.77 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-6-(phenoxymethyl)phenyl]pyridine is sourced from PubChem (CID 57297531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).