(5-fluoro-3-pyridinyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol

C14H16FNO — CID 114097414

IUPAC(5-fluoro-3-pyridinyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol
SMILESOC(c1cncc(F)c1)C1C2C3CCC(C3)C21
InChIInChI=1S/C14H16FNO/c15-10-4-9(5-16-6-10)14(17)13-11-7-1-2-8(3-7)12(11)13/h4-8,11-14,17H,1-3H2
InChIKeyJEZZLQPLPJPXBB-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.55
Rot. Bonds2

About (5-fluoro-3-pyridinyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol

(5-fluoro-3-pyridinyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol (PubChem CID 114097414) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol
PubChem CID114097414
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name(5-fluoro-3-pyridinyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol
SMILESOC(c1cncc(F)c1)C1C2C3CCC(C3)C21
InChIInChI=1S/C14H16FNO/c15-10-4-9(5-16-6-10)14(17)13-11-7-1-2-8(3-7)12(11)13/h4-8,11-14,17H,1-3H2
InChIKeyJEZZLQPLPJPXBB-UHFFFAOYSA-N
XLogP2.55
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol?
The IUPAC name of (5-fluoro-3-pyridinyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol (CID 114097414) is (5-fluoro-3-pyridinyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol?
The canonical SMILES for (5-fluoro-3-pyridinyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol is OC(c1cncc(F)c1)C1C2C3CCC(C3)C21.
What is the InChIKey of (5-fluoro-3-pyridinyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol?
The InChIKey is JEZZLQPLPJPXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c15-10-4-9(5-16-6-10)14(17)13-11-7-1-2-8(3-7)12(11)13/h4-8,11-14,17H,1-3H2.
What are the key properties of (5-fluoro-3-pyridinyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol?
(5-fluoro-3-pyridinyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol has a molecular weight of 233.29 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol is sourced from PubChem (CID 114097414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).