2-(1-ethoxyethenyl)-5-fluoropyridine

C9H10FNO — CID 90409536

IUPAC2-(1-ethoxyethenyl)-5-fluoropyridine
SMILESC=C(OCC)c1ccc(F)cn1
InChIInChI=1S/C9H10FNO/c1-3-12-7(2)9-5-4-8(10)6-11-9/h4-6H,2-3H2,1H3
InChIKeyMHIZETGUTXCZDC-UHFFFAOYSA-N
MW167.18 g/mol
LogP2.23
Rot. Bonds3

About 2-(1-ethoxyethenyl)-5-fluoropyridine

2-(1-ethoxyethenyl)-5-fluoropyridine (PubChem CID 90409536) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 2-(1-ethoxyethenyl)-5-fluoropyridine.

Molecular Properties

Compound Name2-(1-ethoxyethenyl)-5-fluoropyridine
PubChem CID90409536
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name2-(1-ethoxyethenyl)-5-fluoropyridine
SMILESC=C(OCC)c1ccc(F)cn1
InChIInChI=1S/C9H10FNO/c1-3-12-7(2)9-5-4-8(10)6-11-9/h4-6H,2-3H2,1H3
InChIKeyMHIZETGUTXCZDC-UHFFFAOYSA-N
XLogP2.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-fluoropyridine-2-carboxylate
CID 10986675
2-(1-ethoxyethenyl)-5-propan-2-yloxypyridine
CID 169004083
methyl 6-(1-ethoxyethenyl)pyridine-3-carboxylate
CID 166150412
ethyl 2,2-difluoro-3-(5-fluoro-2-pyridinyl)-3-oxopropanoate
CID 79713225
ethyl 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetate
CID 113411906
4-(1-ethoxyethenyl)-1,3-thiazole
CID 137473082
3,3-diethoxy-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112583457
ethyl 2-cyano-2-(5-fluoro-2-pyridinyl)propanoate
CID 104572268
(6-ethoxy-2-pyridinyl)methyl 5-fluoropyridine-2-carboxylate
CID 84600222
5-(18F)fluoropyridine-2-carboxamide
CID 11607925
2-(3-ethoxybuta-1,3-dien-2-yl)-5-methylpyridine
CID 166966032
3-cyclopropyl-2-[6-(1-ethoxyethenyl)-3-pyridinyl]propanenitrile
CID 86716183

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethenyl)-5-fluoropyridine?
The IUPAC name of 2-(1-ethoxyethenyl)-5-fluoropyridine (CID 90409536) is 2-(1-ethoxyethenyl)-5-fluoropyridine.
What is the SMILES notation for 2-(1-ethoxyethenyl)-5-fluoropyridine?
The canonical SMILES for 2-(1-ethoxyethenyl)-5-fluoropyridine is C=C(OCC)c1ccc(F)cn1.
What is the InChIKey of 2-(1-ethoxyethenyl)-5-fluoropyridine?
The InChIKey is MHIZETGUTXCZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-3-12-7(2)9-5-4-8(10)6-11-9/h4-6H,2-3H2,1H3.
What are the key properties of 2-(1-ethoxyethenyl)-5-fluoropyridine?
2-(1-ethoxyethenyl)-5-fluoropyridine has a molecular weight of 167.18 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethenyl)-5-fluoropyridine is sourced from PubChem (CID 90409536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).