2-(1-cyclopropyl-2-ethoxyprop-2-enoxy)-6-fluoropyridine

C13H16FNO2 — CID 121004319

IUPAC2-(1-cyclopropyl-2-ethoxyprop-2-enoxy)-6-fluoropyridine
SMILESC=C(OCC)C(Oc1cccc(F)n1)C1CC1
InChIInChI=1S/C13H16FNO2/c1-3-16-9(2)13(10-7-8-10)17-12-6-4-5-11(14)15-12/h4-6,10,13H,2-3,7-8H2,1H3
InChIKeyUNOABKIFPAVCOJ-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.93
Rot. Bonds6

About 2-(1-cyclopropyl-2-ethoxyprop-2-enoxy)-6-fluoropyridine

2-(1-cyclopropyl-2-ethoxyprop-2-enoxy)-6-fluoropyridine (PubChem CID 121004319) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-(1-cyclopropyl-2-ethoxyprop-2-enoxy)-6-fluoropyridine.

Molecular Properties

Compound Name2-(1-cyclopropyl-2-ethoxyprop-2-enoxy)-6-fluoropyridine
PubChem CID121004319
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-(1-cyclopropyl-2-ethoxyprop-2-enoxy)-6-fluoropyridine
SMILESC=C(OCC)C(Oc1cccc(F)n1)C1CC1
InChIInChI=1S/C13H16FNO2/c1-3-16-9(2)13(10-7-8-10)17-12-6-4-5-11(14)15-12/h4-6,10,13H,2-3,7-8H2,1H3
InChIKeyUNOABKIFPAVCOJ-UHFFFAOYSA-N
XLogP2.93
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Pyridine, 2-ethoxy-6-methyl-
CID 4738465
2-Fluoro-6-methoxypyridine
CID 14296367
2-Methoxy-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 17750508
2-Chloro-6-isopropoxypyridine
CID 13309095
2-Bromo-6-isopropoxypyridine
CID 22180768
2-(Cyclopropylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 24208797
2-Ethoxy-6-fluoropyridine
CID 53424555
2-Fluoro-6-(propan-2-yloxy)pyridine
CID 61229350
2-Bromo-6-(2-methoxyethoxy)pyridine
CID 63964039
2-Cyclopropyloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 72219140
2-Bromo-6-cyclopropoxypyridine
CID 72219282
6-Fluoro-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)pyridine
CID 72220357

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-2-ethoxyprop-2-enoxy)-6-fluoropyridine?
The IUPAC name of 2-(1-cyclopropyl-2-ethoxyprop-2-enoxy)-6-fluoropyridine (CID 121004319) is 2-(1-cyclopropyl-2-ethoxyprop-2-enoxy)-6-fluoropyridine.
What is the SMILES notation for 2-(1-cyclopropyl-2-ethoxyprop-2-enoxy)-6-fluoropyridine?
The canonical SMILES for 2-(1-cyclopropyl-2-ethoxyprop-2-enoxy)-6-fluoropyridine is C=C(OCC)C(Oc1cccc(F)n1)C1CC1.
What is the InChIKey of 2-(1-cyclopropyl-2-ethoxyprop-2-enoxy)-6-fluoropyridine?
The InChIKey is UNOABKIFPAVCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-3-16-9(2)13(10-7-8-10)17-12-6-4-5-11(14)15-12/h4-6,10,13H,2-3,7-8H2,1H3.
What are the key properties of 2-(1-cyclopropyl-2-ethoxyprop-2-enoxy)-6-fluoropyridine?
2-(1-cyclopropyl-2-ethoxyprop-2-enoxy)-6-fluoropyridine has a molecular weight of 237.27 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-2-ethoxyprop-2-enoxy)-6-fluoropyridine is sourced from PubChem (CID 121004319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).