[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-4-pyridinyl]methanol

C13H13FN2OS — CID 105382865

IUPAC[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-4-pyridinyl]methanol
SMILESOCc1ccnc(N2CCc3sccc3C2)c1F
InChIInChI=1S/C13H13FN2OS/c14-12-10(8-17)1-4-15-13(12)16-5-2-11-9(7-16)3-6-18-11/h1,3-4,6,17H,2,5,7-8H2
InChIKeyCECIHWPCZKSQCT-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.34
Rot. Bonds2

About [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-4-pyridinyl]methanol

[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-4-pyridinyl]methanol (PubChem CID 105382865) has the molecular formula C13H13FN2OS and a molecular weight of 264.33 g/mol. Its IUPAC name is [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-4-pyridinyl]methanol
PubChem CID105382865
Molecular FormulaC13H13FN2OS
Molecular Weight264.33 g/mol
Exact Mass264.07
IUPAC Name[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-4-pyridinyl]methanol
SMILESOCc1ccnc(N2CCc3sccc3C2)c1F
InChIInChI=1S/C13H13FN2OS/c14-12-10(8-17)1-4-15-13(12)16-5-2-11-9(7-16)3-6-18-11/h1,3-4,6,17H,2,5,7-8H2
InChIKeyCECIHWPCZKSQCT-UHFFFAOYSA-N
XLogP2.34
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-4-pyridinyl]methanol?
The IUPAC name of [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-4-pyridinyl]methanol (CID 105382865) is [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-4-pyridinyl]methanol.
What is the SMILES notation for [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-4-pyridinyl]methanol?
The canonical SMILES for [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-4-pyridinyl]methanol is OCc1ccnc(N2CCc3sccc3C2)c1F.
What is the InChIKey of [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-4-pyridinyl]methanol?
The InChIKey is CECIHWPCZKSQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c14-12-10(8-17)1-4-15-13(12)16-5-2-11-9(7-16)3-6-18-11/h1,3-4,6,17H,2,5,7-8H2.
What are the key properties of [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-4-pyridinyl]methanol?
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-4-pyridinyl]methanol has a molecular weight of 264.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-4-pyridinyl]methanol is sourced from PubChem (CID 105382865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).