ethane;3-ethoxy-2-fluoropyridine

C9H14FNO — CID 144753234

IUPACethane;3-ethoxy-2-fluoropyridine
SMILESCC.CCOc1cccnc1F
InChIInChI=1S/C7H8FNO.C2H6/c1-2-10-6-4-3-5-9-7(6)8;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeyHYYVMXLXBOJTGT-UHFFFAOYSA-N
MW171.21 g/mol
LogP2.65
Rot. Bonds2

About ethane;3-ethoxy-2-fluoropyridine

ethane;3-ethoxy-2-fluoropyridine (PubChem CID 144753234) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is ethane;3-ethoxy-2-fluoropyridine.

Molecular Properties

Compound Nameethane;3-ethoxy-2-fluoropyridine
PubChem CID144753234
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Nameethane;3-ethoxy-2-fluoropyridine
SMILESCC.CCOc1cccnc1F
InChIInChI=1S/C7H8FNO.C2H6/c1-2-10-6-4-3-5-9-7(6)8;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeyHYYVMXLXBOJTGT-UHFFFAOYSA-N
XLogP2.65
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-2-fluoropyridine
CID 11355527
2-fluoro-3-[(2-methylpropan-2-yl)oxy]pyridine
CID 138743961
3-(diethoxymethyl)-2-fluoropyridine
CID 172684948
3-(difluoromethoxy)-2-fluoropyridine
CID 74892042
2-(18F)fluoro-3-hex-5-ynoxypyridine
CID 25194435
2-fluoro-3-(phenylmethoxymethoxy)pyridine
CID 102941131
ethane;1-ethoxy-3-fluoro-2-methylbenzene
CID 143520005
3-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridine
CID 10241442
3-ethoxypyridine-2-carbonyl chloride
CID 142800977
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
N-(2-bromoethyl)-3-ethoxy-N-pentan-3-ylpyridin-2-amine
CID 113371355
4-ethyl-6-[(2-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine
CID 133472269

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethoxy-2-fluoropyridine?
The IUPAC name of ethane;3-ethoxy-2-fluoropyridine (CID 144753234) is ethane;3-ethoxy-2-fluoropyridine.
What is the SMILES notation for ethane;3-ethoxy-2-fluoropyridine?
The canonical SMILES for ethane;3-ethoxy-2-fluoropyridine is CC.CCOc1cccnc1F.
What is the InChIKey of ethane;3-ethoxy-2-fluoropyridine?
The InChIKey is HYYVMXLXBOJTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO.C2H6/c1-2-10-6-4-3-5-9-7(6)8;1-2/h3-5H,2H2,1H3;1-2H3.
What are the key properties of ethane;3-ethoxy-2-fluoropyridine?
ethane;3-ethoxy-2-fluoropyridine has a molecular weight of 171.21 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethoxy-2-fluoropyridine is sourced from PubChem (CID 144753234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).