4-[2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine

C15H14ClNO2 — CID 66461797

IUPAC4-[2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine
SMILESClC(Cc1ccncc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H14ClNO2/c16-13(9-11-3-5-17-6-4-11)12-1-2-14-15(10-12)19-8-7-18-14/h1-6,10,13H,7-9H2
InChIKeySWXAGZHKNCLMNU-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.38
Rot. Bonds3

About 4-[2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine

4-[2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine (PubChem CID 66461797) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-[2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine
PubChem CID66461797
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name4-[2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine
SMILESClC(Cc1ccncc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H14ClNO2/c16-13(9-11-3-5-17-6-4-11)12-1-2-14-15(10-12)19-8-7-18-14/h1-6,10,13H,7-9H2
InChIKeySWXAGZHKNCLMNU-UHFFFAOYSA-N
XLogP3.38
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-[1-chloro-2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 63433566
5-[1-chloro-2-(4-chlorophenyl)ethyl]-1,3-benzodioxole
CID 55222555
6-(1-chloropropyl)-2,3-dihydro-1,4-benzodioxine
CID 61083741
2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetaldehyde
CID 87256824
3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-ylpropan-1-ol
CID 80525401
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-ylpropan-1-ol
CID 66461480
4-[2-(4-tert-butylphenyl)-2-chloroethyl]pyridine
CID 66459574
6-(3-chlorobutan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 66470243
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-pyridin-4-ylethanamine
CID 60647897
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
4-[1-(1,3-benzodioxol-5-yl)-1-chloropropan-2-yl]pyridine
CID 66461171
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine?
The IUPAC name of 4-[2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine (CID 66461797) is 4-[2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine.
What is the SMILES notation for 4-[2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine?
The canonical SMILES for 4-[2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine is ClC(Cc1ccncc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 4-[2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine?
The InChIKey is SWXAGZHKNCLMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-13(9-11-3-5-17-6-4-11)12-1-2-14-15(10-12)19-8-7-18-14/h1-6,10,13H,7-9H2.
What are the key properties of 4-[2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine?
4-[2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine has a molecular weight of 275.74 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine is sourced from PubChem (CID 66461797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).