2-chloro-6-(3-pyridin-4-ylpropoxymethyl)pyridine

C14H15ClN2O — CID 79243952

IUPAC2-chloro-6-(3-pyridin-4-ylpropoxymethyl)pyridine
SMILESClc1cccc(COCCCc2ccncc2)n1
InChIInChI=1S/C14H15ClN2O/c15-14-5-1-4-13(17-14)11-18-10-2-3-12-6-8-16-9-7-12/h1,4-9H,2-3,10-11H2
InChIKeyIDZSARYQMCPQSH-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.28
Rot. Bonds6

About 2-chloro-6-(3-pyridin-4-ylpropoxymethyl)pyridine

2-chloro-6-(3-pyridin-4-ylpropoxymethyl)pyridine (PubChem CID 79243952) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-chloro-6-(3-pyridin-4-ylpropoxymethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(3-pyridin-4-ylpropoxymethyl)pyridine
PubChem CID79243952
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-chloro-6-(3-pyridin-4-ylpropoxymethyl)pyridine
SMILESClc1cccc(COCCCc2ccncc2)n1
InChIInChI=1S/C14H15ClN2O/c15-14-5-1-4-13(17-14)11-18-10-2-3-12-6-8-16-9-7-12/h1,4-9H,2-3,10-11H2
InChIKeyIDZSARYQMCPQSH-UHFFFAOYSA-N
XLogP3.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[6-(3-phenylpropoxymethyl)-2-pyridinyl]methanamine
CID 106908261
2-chloro-6-(prop-2-enoxymethyl)pyridine
CID 79243587
4-[3-(pyridin-4-ylmethoxy)propoxymethyl]pyridine
CID 59757640
1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanamine
CID 55243631
2-chloro-6-(3-fluoropropyl)pyridine
CID 173285144
[2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine
CID 65338927
[5-fluoro-2-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine
CID 63289557
2,6-bis[2-(4-methylphenyl)ethoxymethyl]pyridine
CID 71605709
3,5-dichloro-4-(3-pyridin-4-ylpropoxy)phenol
CID 18504590
3-bromo-5-(3-pyridin-4-ylpropoxymethyl)aniline
CID 103350319
4-fluoro-2-(3-pyridin-4-ylpropoxymethyl)aniline
CID 43443918
4-[3-(3-chlorophenyl)propyl]pyridine
CID 19783328

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-pyridin-4-ylpropoxymethyl)pyridine?
The IUPAC name of 2-chloro-6-(3-pyridin-4-ylpropoxymethyl)pyridine (CID 79243952) is 2-chloro-6-(3-pyridin-4-ylpropoxymethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(3-pyridin-4-ylpropoxymethyl)pyridine?
The canonical SMILES for 2-chloro-6-(3-pyridin-4-ylpropoxymethyl)pyridine is Clc1cccc(COCCCc2ccncc2)n1.
What is the InChIKey of 2-chloro-6-(3-pyridin-4-ylpropoxymethyl)pyridine?
The InChIKey is IDZSARYQMCPQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-14-5-1-4-13(17-14)11-18-10-2-3-12-6-8-16-9-7-12/h1,4-9H,2-3,10-11H2.
What are the key properties of 2-chloro-6-(3-pyridin-4-ylpropoxymethyl)pyridine?
2-chloro-6-(3-pyridin-4-ylpropoxymethyl)pyridine has a molecular weight of 262.74 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-pyridin-4-ylpropoxymethyl)pyridine is sourced from PubChem (CID 79243952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).