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

C14H15FN2OS — CID 105383011

IUPAC[3-fluoro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]methanol
SMILESCC1c2ccsc2CCN1c1nccc(CO)c1F
InChIInChI=1S/C14H15FN2OS/c1-9-11-4-7-19-12(11)3-6-17(9)14-13(15)10(8-18)2-5-16-14/h2,4-5,7,9,18H,3,6,8H2,1H3
InChIKeyLPWKFOHMASIKJO-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.90
Rot. Bonds2

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

[3-fluoro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]methanol (PubChem CID 105383011) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is [3-fluoro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-fluoro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]methanol
PubChem CID105383011
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name[3-fluoro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]methanol
SMILESCC1c2ccsc2CCN1c1nccc(CO)c1F
InChIInChI=1S/C14H15FN2OS/c1-9-11-4-7-19-12(11)3-6-17(9)14-13(15)10(8-18)2-5-16-14/h2,4-5,7,9,18H,3,6,8H2,1H3
InChIKeyLPWKFOHMASIKJO-UHFFFAOYSA-N
XLogP2.90
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]methanol?
The IUPAC name of [3-fluoro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]methanol (CID 105383011) is [3-fluoro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]methanol.
What is the SMILES notation for [3-fluoro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]methanol?
The canonical SMILES for [3-fluoro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]methanol is CC1c2ccsc2CCN1c1nccc(CO)c1F.
What is the InChIKey of [3-fluoro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]methanol?
The InChIKey is LPWKFOHMASIKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-9-11-4-7-19-12(11)3-6-17(9)14-13(15)10(8-18)2-5-16-14/h2,4-5,7,9,18H,3,6,8H2,1H3.
What are the key properties of [3-fluoro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]methanol?
[3-fluoro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]methanol has a molecular weight of 278.35 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]methanol is sourced from PubChem (CID 105383011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).