3-(5-fluoro-3-pyridinyl)cyclohept-2-en-1-ol

C12H14FNO — CID 107383485

IUPAC3-(5-fluoro-3-pyridinyl)cyclohept-2-en-1-ol
SMILESOC1C=C(c2cncc(F)c2)CCCC1
InChIInChI=1S/C12H14FNO/c13-11-5-10(7-14-8-11)9-3-1-2-4-12(15)6-9/h5-8,12,15H,1-4H2
InChIKeyQISTZAFIGBJCEC-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.54
Rot. Bonds1

About 3-(5-fluoro-3-pyridinyl)cyclohept-2-en-1-ol

3-(5-fluoro-3-pyridinyl)cyclohept-2-en-1-ol (PubChem CID 107383485) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-(5-fluoro-3-pyridinyl)cyclohept-2-en-1-ol.

Molecular Properties

Compound Name3-(5-fluoro-3-pyridinyl)cyclohept-2-en-1-ol
PubChem CID107383485
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name3-(5-fluoro-3-pyridinyl)cyclohept-2-en-1-ol
SMILESOC1C=C(c2cncc(F)c2)CCCC1
InChIInChI=1S/C12H14FNO/c13-11-5-10(7-14-8-11)9-3-1-2-4-12(15)6-9/h5-8,12,15H,1-4H2
InChIKeyQISTZAFIGBJCEC-UHFFFAOYSA-N
XLogP2.54
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3-pyridinyl)cyclohept-2-en-1-ol?
The IUPAC name of 3-(5-fluoro-3-pyridinyl)cyclohept-2-en-1-ol (CID 107383485) is 3-(5-fluoro-3-pyridinyl)cyclohept-2-en-1-ol.
What is the SMILES notation for 3-(5-fluoro-3-pyridinyl)cyclohept-2-en-1-ol?
The canonical SMILES for 3-(5-fluoro-3-pyridinyl)cyclohept-2-en-1-ol is OC1C=C(c2cncc(F)c2)CCCC1.
What is the InChIKey of 3-(5-fluoro-3-pyridinyl)cyclohept-2-en-1-ol?
The InChIKey is QISTZAFIGBJCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c13-11-5-10(7-14-8-11)9-3-1-2-4-12(15)6-9/h5-8,12,15H,1-4H2.
What are the key properties of 3-(5-fluoro-3-pyridinyl)cyclohept-2-en-1-ol?
3-(5-fluoro-3-pyridinyl)cyclohept-2-en-1-ol has a molecular weight of 207.25 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3-pyridinyl)cyclohept-2-en-1-ol is sourced from PubChem (CID 107383485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).