ethyl 4-(5-fluoro-2-pyridinyl)cyclohex-3-ene-1-carboxylate

C14H16FNO2 — CID 58485013

IUPACethyl 4-(5-fluoro-2-pyridinyl)cyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)C1CC=C(c2ccc(F)cn2)CC1
InChIInChI=1S/C14H16FNO2/c1-2-18-14(17)11-5-3-10(4-6-11)13-8-7-12(15)9-16-13/h3,7-9,11H,2,4-6H2,1H3
InChIKeyHSWNAXIZZKUVEY-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.97
Rot. Bonds3

About ethyl 4-(5-fluoro-2-pyridinyl)cyclohex-3-ene-1-carboxylate

ethyl 4-(5-fluoro-2-pyridinyl)cyclohex-3-ene-1-carboxylate (PubChem CID 58485013) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is ethyl 4-(5-fluoro-2-pyridinyl)cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-fluoro-2-pyridinyl)cyclohex-3-ene-1-carboxylate
PubChem CID58485013
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Nameethyl 4-(5-fluoro-2-pyridinyl)cyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)C1CC=C(c2ccc(F)cn2)CC1
InChIInChI=1S/C14H16FNO2/c1-2-18-14(17)11-5-3-10(4-6-11)13-8-7-12(15)9-16-13/h3,7-9,11H,2,4-6H2,1H3
InChIKeyHSWNAXIZZKUVEY-UHFFFAOYSA-N
XLogP2.97
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(5-fluoro-2-hydroxyphenyl)cyclohex-3-ene-1-carboxylate
CID 129140658
ethyl 4-(4-amino-2-pyridinyl)cyclohex-3-ene-1-carboxylate
CID 58485050
ethyl (1R)-4-pyrimidin-2-ylcyclohex-3-ene-1-carboxylate
CID 129392349
ethyl (1S)-4-(3-amino-2-pyridinyl)cyclohex-3-ene-1-carboxylate
CID 67445034
ethyl (1S)-4-(2-amino-3-pyridinyl)cyclohex-3-ene-1-carboxylate
CID 67443876
ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-5-yl)cyclohex-3-ene-1-carboxylate
CID 90182158
ethyl 4-(3-chloro-4-fluorophenyl)cyclohex-3-ene-1-carboxylate
CID 67057759
trans-ethyl (1R,2R)-2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate
CID 118512749
ethyl 4-[1-(4-chlorophenyl)pyrazol-4-yl]cyclohex-3-ene-1-carboxylate
CID 165399673
ethyl 4-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxylate
CID 177244801
ethyl (1R)-4-(trideuteriomethyl)cyclohex-3-ene-1-carboxylate
CID 175763412
ethyl (1R)-4-(2-ethoxy-2-oxoethyl)cyclohex-3-ene-1-carboxylate
CID 97177704

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-fluoro-2-pyridinyl)cyclohex-3-ene-1-carboxylate?
The IUPAC name of ethyl 4-(5-fluoro-2-pyridinyl)cyclohex-3-ene-1-carboxylate (CID 58485013) is ethyl 4-(5-fluoro-2-pyridinyl)cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for ethyl 4-(5-fluoro-2-pyridinyl)cyclohex-3-ene-1-carboxylate?
The canonical SMILES for ethyl 4-(5-fluoro-2-pyridinyl)cyclohex-3-ene-1-carboxylate is CCOC(=O)C1CC=C(c2ccc(F)cn2)CC1.
What is the InChIKey of ethyl 4-(5-fluoro-2-pyridinyl)cyclohex-3-ene-1-carboxylate?
The InChIKey is HSWNAXIZZKUVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-2-18-14(17)11-5-3-10(4-6-11)13-8-7-12(15)9-16-13/h3,7-9,11H,2,4-6H2,1H3.
What are the key properties of ethyl 4-(5-fluoro-2-pyridinyl)cyclohex-3-ene-1-carboxylate?
ethyl 4-(5-fluoro-2-pyridinyl)cyclohex-3-ene-1-carboxylate has a molecular weight of 249.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-fluoro-2-pyridinyl)cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 58485013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).