methyl 3-(5-fluoro-2-pyridinyl)cyclopent-3-ene-1-carboxylate

C12H12FNO2 — CID 57061444

IUPACmethyl 3-(5-fluoro-2-pyridinyl)cyclopent-3-ene-1-carboxylate
SMILESCOC(=O)C1CC=C(c2ccc(F)cn2)C1
InChIInChI=1S/C12H12FNO2/c1-16-12(15)9-3-2-8(6-9)11-5-4-10(13)7-14-11/h2,4-5,7,9H,3,6H2,1H3
InChIKeyAKIXXLAVZMEPTI-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.19
Rot. Bonds2

About methyl 3-(5-fluoro-2-pyridinyl)cyclopent-3-ene-1-carboxylate

methyl 3-(5-fluoro-2-pyridinyl)cyclopent-3-ene-1-carboxylate (PubChem CID 57061444) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is methyl 3-(5-fluoro-2-pyridinyl)cyclopent-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(5-fluoro-2-pyridinyl)cyclopent-3-ene-1-carboxylate
PubChem CID57061444
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Namemethyl 3-(5-fluoro-2-pyridinyl)cyclopent-3-ene-1-carboxylate
SMILESCOC(=O)C1CC=C(c2ccc(F)cn2)C1
InChIInChI=1S/C12H12FNO2/c1-16-12(15)9-3-2-8(6-9)11-5-4-10(13)7-14-11/h2,4-5,7,9H,3,6H2,1H3
InChIKeyAKIXXLAVZMEPTI-UHFFFAOYSA-N
XLogP2.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-fluoro-2-pyridinyl)cyclopent-3-ene-1-carboxylate?
The IUPAC name of methyl 3-(5-fluoro-2-pyridinyl)cyclopent-3-ene-1-carboxylate (CID 57061444) is methyl 3-(5-fluoro-2-pyridinyl)cyclopent-3-ene-1-carboxylate.
What is the SMILES notation for methyl 3-(5-fluoro-2-pyridinyl)cyclopent-3-ene-1-carboxylate?
The canonical SMILES for methyl 3-(5-fluoro-2-pyridinyl)cyclopent-3-ene-1-carboxylate is COC(=O)C1CC=C(c2ccc(F)cn2)C1.
What is the InChIKey of methyl 3-(5-fluoro-2-pyridinyl)cyclopent-3-ene-1-carboxylate?
The InChIKey is AKIXXLAVZMEPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-16-12(15)9-3-2-8(6-9)11-5-4-10(13)7-14-11/h2,4-5,7,9H,3,6H2,1H3.
What are the key properties of methyl 3-(5-fluoro-2-pyridinyl)cyclopent-3-ene-1-carboxylate?
methyl 3-(5-fluoro-2-pyridinyl)cyclopent-3-ene-1-carboxylate has a molecular weight of 221.23 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-fluoro-2-pyridinyl)cyclopent-3-ene-1-carboxylate is sourced from PubChem (CID 57061444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).