3-[4-chloro-2-(phenoxymethyl)phenyl]pyridine

C18H14ClNO — CID 90713874

IUPAC3-[4-chloro-2-(phenoxymethyl)phenyl]pyridine
SMILESClc1ccc(-c2cccnc2)c(COc2ccccc2)c1
InChIInChI=1S/C18H14ClNO/c19-16-8-9-18(14-5-4-10-20-12-14)15(11-16)13-21-17-6-2-1-3-7-17/h1-12H,13H2
InChIKeyZRZAGKAJMPQAHQ-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.98
Rot. Bonds4

About 3-[4-chloro-2-(phenoxymethyl)phenyl]pyridine

3-[4-chloro-2-(phenoxymethyl)phenyl]pyridine (PubChem CID 90713874) has the molecular formula C18H14ClNO and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-[4-chloro-2-(phenoxymethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-[4-chloro-2-(phenoxymethyl)phenyl]pyridine
PubChem CID90713874
Molecular FormulaC18H14ClNO
Molecular Weight295.77 g/mol
Exact Mass295.08
IUPAC Name3-[4-chloro-2-(phenoxymethyl)phenyl]pyridine
SMILESClc1ccc(-c2cccnc2)c(COc2ccccc2)c1
InChIInChI=1S/C18H14ClNO/c19-16-8-9-18(14-5-4-10-20-12-14)15(11-16)13-21-17-6-2-1-3-7-17/h1-12H,13H2
InChIKeyZRZAGKAJMPQAHQ-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

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3-[2-(chloromethyl)phenyl]pyridine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-(phenoxymethyl)phenyl]pyridine?
The IUPAC name of 3-[4-chloro-2-(phenoxymethyl)phenyl]pyridine (CID 90713874) is 3-[4-chloro-2-(phenoxymethyl)phenyl]pyridine.
What is the SMILES notation for 3-[4-chloro-2-(phenoxymethyl)phenyl]pyridine?
The canonical SMILES for 3-[4-chloro-2-(phenoxymethyl)phenyl]pyridine is Clc1ccc(-c2cccnc2)c(COc2ccccc2)c1.
What is the InChIKey of 3-[4-chloro-2-(phenoxymethyl)phenyl]pyridine?
The InChIKey is ZRZAGKAJMPQAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO/c19-16-8-9-18(14-5-4-10-20-12-14)15(11-16)13-21-17-6-2-1-3-7-17/h1-12H,13H2.
What are the key properties of 3-[4-chloro-2-(phenoxymethyl)phenyl]pyridine?
3-[4-chloro-2-(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-[4-chloro-2-(phenoxymethyl)phenyl]pyridine is sourced from PubChem (CID 90713874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).