(3-fluoro-4-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol

C15H16FNOS — CID 115833986

IUPAC(3-fluoro-4-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
SMILESOC(c1cc2c(s1)CCCCC2)c1ccncc1F
InChIInChI=1S/C15H16FNOS/c16-12-9-17-7-6-11(12)15(18)14-8-10-4-2-1-3-5-13(10)19-14/h6-9,15,18H,1-5H2
InChIKeyFOMILUXUYXYTCO-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.63
Rot. Bonds2

About (3-fluoro-4-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol

(3-fluoro-4-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol (PubChem CID 115833986) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
PubChem CID115833986
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC Name(3-fluoro-4-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
SMILESOC(c1cc2c(s1)CCCCC2)c1ccncc1F
InChIInChI=1S/C15H16FNOS/c16-12-9-17-7-6-11(12)15(18)14-8-10-4-2-1-3-5-13(10)19-14/h6-9,15,18H,1-5H2
InChIKeyFOMILUXUYXYTCO-UHFFFAOYSA-N
XLogP3.63
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol?
The IUPAC name of (3-fluoro-4-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol (CID 115833986) is (3-fluoro-4-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol?
The canonical SMILES for (3-fluoro-4-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol is OC(c1cc2c(s1)CCCCC2)c1ccncc1F.
What is the InChIKey of (3-fluoro-4-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol?
The InChIKey is FOMILUXUYXYTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS/c16-12-9-17-7-6-11(12)15(18)14-8-10-4-2-1-3-5-13(10)19-14/h6-9,15,18H,1-5H2.
What are the key properties of (3-fluoro-4-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol?
(3-fluoro-4-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol has a molecular weight of 277.36 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol is sourced from PubChem (CID 115833986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).