5-chloro-3-fluoro-2-prop-2-enoxypyridine

C8H7ClFNO — CID 79728217

IUPAC5-chloro-3-fluoro-2-prop-2-enoxypyridine
SMILESC=CCOc1ncc(Cl)cc1F
InChIInChI=1S/C8H7ClFNO/c1-2-3-12-8-7(10)4-6(9)5-11-8/h2,4-5H,1,3H2
InChIKeyYDCDTCAALCHMNS-UHFFFAOYSA-N
MW187.60 g/mol
LogP2.44
Rot. Bonds3

About 5-chloro-3-fluoro-2-prop-2-enoxypyridine

5-chloro-3-fluoro-2-prop-2-enoxypyridine (PubChem CID 79728217) has the molecular formula C8H7ClFNO and a molecular weight of 187.60 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-prop-2-enoxypyridine.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-prop-2-enoxypyridine
PubChem CID79728217
Molecular FormulaC8H7ClFNO
Molecular Weight187.60 g/mol
Exact Mass187.02
IUPAC Name5-chloro-3-fluoro-2-prop-2-enoxypyridine
SMILESC=CCOc1ncc(Cl)cc1F
InChIInChI=1S/C8H7ClFNO/c1-2-3-12-8-7(10)4-6(9)5-11-8/h2,4-5H,1,3H2
InChIKeyYDCDTCAALCHMNS-UHFFFAOYSA-N
XLogP2.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.60
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-prop-2-enoxypyridine?
The IUPAC name of 5-chloro-3-fluoro-2-prop-2-enoxypyridine (CID 79728217) is 5-chloro-3-fluoro-2-prop-2-enoxypyridine.
What is the SMILES notation for 5-chloro-3-fluoro-2-prop-2-enoxypyridine?
The canonical SMILES for 5-chloro-3-fluoro-2-prop-2-enoxypyridine is C=CCOc1ncc(Cl)cc1F.
What is the InChIKey of 5-chloro-3-fluoro-2-prop-2-enoxypyridine?
The InChIKey is YDCDTCAALCHMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO/c1-2-3-12-8-7(10)4-6(9)5-11-8/h2,4-5H,1,3H2.
What are the key properties of 5-chloro-3-fluoro-2-prop-2-enoxypyridine?
5-chloro-3-fluoro-2-prop-2-enoxypyridine has a molecular weight of 187.60 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-prop-2-enoxypyridine is sourced from PubChem (CID 79728217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).