2-[(4-chlorophenoxy)methyl]pyridine

C12H10ClNO — CID 5118923

IUPAC2-[(4-chlorophenoxy)methyl]pyridine
SMILESClc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C12H10ClNO/c13-10-4-6-12(7-5-10)15-9-11-3-1-2-8-14-11/h1-8H,9H2
InChIKeyHUTBSWDISPHEGZ-UHFFFAOYSA-N
MW219.67 g/mol
LogP3.31
Rot. Bonds3

About 2-[(4-chlorophenoxy)methyl]pyridine

2-[(4-chlorophenoxy)methyl]pyridine (PubChem CID 5118923) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]pyridine
PubChem CID5118923
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name2-[(4-chlorophenoxy)methyl]pyridine
SMILESClc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C12H10ClNO/c13-10-4-6-12(7-5-10)15-9-11-3-1-2-8-14-11/h1-8H,9H2
InChIKeyHUTBSWDISPHEGZ-UHFFFAOYSA-N
XLogP3.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]pyridine?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]pyridine (CID 5118923) is 2-[(4-chlorophenoxy)methyl]pyridine.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]pyridine?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]pyridine is Clc1ccc(OCc2ccccn2)cc1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]pyridine?
The InChIKey is HUTBSWDISPHEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c13-10-4-6-12(7-5-10)15-9-11-3-1-2-8-14-11/h1-8H,9H2.
What are the key properties of 2-[(4-chlorophenoxy)methyl]pyridine?
2-[(4-chlorophenoxy)methyl]pyridine has a molecular weight of 219.67 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]pyridine is sourced from PubChem (CID 5118923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).