3-(2-chloroprop-2-enoxy)pyridine

C8H8ClNO — CID 112558627

IUPAC3-(2-chloroprop-2-enoxy)pyridine
SMILESC=C(Cl)COc1cccnc1
InChIInChI=1S/C8H8ClNO/c1-7(9)6-11-8-3-2-4-10-5-8/h2-5H,1,6H2
InChIKeySVRQGAJBKORLMD-UHFFFAOYSA-N
MW169.61 g/mol
LogP2.21
Rot. Bonds3

About 3-(2-chloroprop-2-enoxy)pyridine

3-(2-chloroprop-2-enoxy)pyridine (PubChem CID 112558627) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 3-(2-chloroprop-2-enoxy)pyridine.

Molecular Properties

Compound Name3-(2-chloroprop-2-enoxy)pyridine
PubChem CID112558627
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name3-(2-chloroprop-2-enoxy)pyridine
SMILESC=C(Cl)COc1cccnc1
InChIInChI=1S/C8H8ClNO/c1-7(9)6-11-8-3-2-4-10-5-8/h2-5H,1,6H2
InChIKeySVRQGAJBKORLMD-UHFFFAOYSA-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

(NZ)-N-(1-phenyl-2-pyridin-3-yloxyethylidene)hydroxylamine
CID 87382498
pyridin-3-yl hypochlorite
CID 91164948
N-pyridin-4-yl-2-pyridin-3-yloxyacetamide
CID 110487864
3-(3-phenoxypropoxy)pyridine
CID 86195847
N-pyridin-2-yl-2-pyridin-3-yloxyacetamide
CID 110487862
N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzamide
CID 42377327
3-(4,4,4-trifluorobutoxy)pyridine
CID 112558625
1-[3-(2-chloroprop-2-enoxy)phenyl]ethanol
CID 43504343
3-(2-bromopropan-2-yloxy)pyridine
CID 174735285
2-pyridin-3-yloxyethyl prop-2-enoate
CID 59502785
N-but-3-ynyl-2-pyridin-3-yloxyacetamide
CID 90537853
2-pyridin-3-yloxy-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 110487966

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroprop-2-enoxy)pyridine?
The IUPAC name of 3-(2-chloroprop-2-enoxy)pyridine (CID 112558627) is 3-(2-chloroprop-2-enoxy)pyridine.
What is the SMILES notation for 3-(2-chloroprop-2-enoxy)pyridine?
The canonical SMILES for 3-(2-chloroprop-2-enoxy)pyridine is C=C(Cl)COc1cccnc1.
What is the InChIKey of 3-(2-chloroprop-2-enoxy)pyridine?
The InChIKey is SVRQGAJBKORLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c1-7(9)6-11-8-3-2-4-10-5-8/h2-5H,1,6H2.
What are the key properties of 3-(2-chloroprop-2-enoxy)pyridine?
3-(2-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 3-(2-chloroprop-2-enoxy)pyridine is sourced from PubChem (CID 112558627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).