2-[(E)-3-chloroprop-2-enoxy]pyridine

C8H8ClNO — CID 131234471

IUPAC2-[(E)-3-chloroprop-2-enoxy]pyridine
SMILESCl/C=C/COc1ccccn1
InChIInChI=1S/C8H8ClNO/c9-5-3-7-11-8-4-1-2-6-10-8/h1-6H,7H2/b5-3+
InChIKeyDWMHHXXPHZGPGM-HWKANZROSA-N
MW169.61 g/mol
LogP2.21
Rot. Bonds3

About 2-[(E)-3-chloroprop-2-enoxy]pyridine

2-[(E)-3-chloroprop-2-enoxy]pyridine (PubChem CID 131234471) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 2-[(E)-3-chloroprop-2-enoxy]pyridine.

Molecular Properties

Compound Name2-[(E)-3-chloroprop-2-enoxy]pyridine
PubChem CID131234471
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name2-[(E)-3-chloroprop-2-enoxy]pyridine
SMILESCl/C=C/COc1ccccn1
InChIInChI=1S/C8H8ClNO/c9-5-3-7-11-8-4-1-2-6-10-8/h1-6H,7H2/b5-3+
InChIKeyDWMHHXXPHZGPGM-HWKANZROSA-N
XLogP2.21
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-3-(3-chloroprop-2-enoxy)pyridine
CID 77056049
2-(2-chloroethoxy)pyridine
CID 22624993
2-chloro-5-(pyridin-2-yloxymethyl)pyridine
CID 131560661
2-methoxypyridine
CID 71774587
CID 175111854
CID 175111854
8-[(E)-3-chloroprop-2-enoxy]quinolin-5-amine
CID 107899466
2-(pyridin-4-ylmethoxy)pyridine
CID 126954867
7-pyridin-2-yloxyheptan-1-ol
CID 22675453
8-pyridin-2-yloxyoctan-1-ol
CID 22675460
2-methyl-1-pyridin-2-yloxypropan-2-amine
CID 51684261
2-methyl-1-pyridin-2-yloxypropan-2-ol
CID 89434781
6-pyridin-2-yloxyhexane-1-thiol
CID 91150264

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-chloroprop-2-enoxy]pyridine?
The IUPAC name of 2-[(E)-3-chloroprop-2-enoxy]pyridine (CID 131234471) is 2-[(E)-3-chloroprop-2-enoxy]pyridine.
What is the SMILES notation for 2-[(E)-3-chloroprop-2-enoxy]pyridine?
The canonical SMILES for 2-[(E)-3-chloroprop-2-enoxy]pyridine is Cl/C=C/COc1ccccn1.
What is the InChIKey of 2-[(E)-3-chloroprop-2-enoxy]pyridine?
The InChIKey is DWMHHXXPHZGPGM-HWKANZROSA-N. The full InChI is InChI=1S/C8H8ClNO/c9-5-3-7-11-8-4-1-2-6-10-8/h1-6H,7H2/b5-3+.
What are the key properties of 2-[(E)-3-chloroprop-2-enoxy]pyridine?
2-[(E)-3-chloroprop-2-enoxy]pyridine has a molecular weight of 169.61 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-chloroprop-2-enoxy]pyridine is sourced from PubChem (CID 131234471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).