13-(3-fluoro-4-pyridinyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-ol

C18H18FNO — CID 104737683

IUPAC13-(3-fluoro-4-pyridinyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-ol
SMILESOC1(c2ccncc2F)C2CCC1Cc1ccccc1C2
InChIInChI=1S/C18H18FNO/c19-17-11-20-8-7-16(17)18(21)14-5-6-15(18)10-13-4-2-1-3-12(13)9-14/h1-4,7-8,11,14-15,21H,5-6,9-10H2
InChIKeySZBNJXKZRXWULO-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.23
Rot. Bonds1

About 13-(3-fluoro-4-pyridinyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-ol

13-(3-fluoro-4-pyridinyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-ol (PubChem CID 104737683) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 13-(3-fluoro-4-pyridinyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-ol.

Molecular Properties

Compound Name13-(3-fluoro-4-pyridinyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-ol
PubChem CID104737683
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name13-(3-fluoro-4-pyridinyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-ol
SMILESOC1(c2ccncc2F)C2CCC1Cc1ccccc1C2
InChIInChI=1S/C18H18FNO/c19-17-11-20-8-7-16(17)18(21)14-5-6-15(18)10-13-4-2-1-3-12(13)9-14/h1-4,7-8,11,14-15,21H,5-6,9-10H2
InChIKeySZBNJXKZRXWULO-UHFFFAOYSA-N
XLogP3.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 13-(3-fluoro-4-pyridinyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-ol?
The IUPAC name of 13-(3-fluoro-4-pyridinyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-ol (CID 104737683) is 13-(3-fluoro-4-pyridinyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-ol.
What is the SMILES notation for 13-(3-fluoro-4-pyridinyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-ol?
The canonical SMILES for 13-(3-fluoro-4-pyridinyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-ol is OC1(c2ccncc2F)C2CCC1Cc1ccccc1C2.
What is the InChIKey of 13-(3-fluoro-4-pyridinyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-ol?
The InChIKey is SZBNJXKZRXWULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c19-17-11-20-8-7-16(17)18(21)14-5-6-15(18)10-13-4-2-1-3-12(13)9-14/h1-4,7-8,11,14-15,21H,5-6,9-10H2.
What are the key properties of 13-(3-fluoro-4-pyridinyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-ol?
13-(3-fluoro-4-pyridinyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-ol has a molecular weight of 283.35 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(3-fluoro-4-pyridinyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-ol is sourced from PubChem (CID 104737683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).