(3,3-difluorocyclobutyl)-(6-methylthieno[2,3-b]pyridin-2-yl)methanol

C13H13F2NOS — CID 172582316

IUPAC(3,3-difluorocyclobutyl)-(6-methylthieno[2,3-b]pyridin-2-yl)methanol
SMILESCc1ccc2cc(C(O)C3CC(F)(F)C3)sc2n1
InChIInChI=1S/C13H13F2NOS/c1-7-2-3-8-4-10(18-12(8)16-7)11(17)9-5-13(14,15)6-9/h2-4,9,11,17H,5-6H2,1H3
InChIKeyUYJOVOWSOYMXRN-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.68
Rot. Bonds2

About (3,3-difluorocyclobutyl)-(6-methylthieno[2,3-b]pyridin-2-yl)methanol

(3,3-difluorocyclobutyl)-(6-methylthieno[2,3-b]pyridin-2-yl)methanol (PubChem CID 172582316) has the molecular formula C13H13F2NOS and a molecular weight of 269.32 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-(6-methylthieno[2,3-b]pyridin-2-yl)methanol.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-(6-methylthieno[2,3-b]pyridin-2-yl)methanol
PubChem CID172582316
Molecular FormulaC13H13F2NOS
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name(3,3-difluorocyclobutyl)-(6-methylthieno[2,3-b]pyridin-2-yl)methanol
SMILESCc1ccc2cc(C(O)C3CC(F)(F)C3)sc2n1
InChIInChI=1S/C13H13F2NOS/c1-7-2-3-8-4-10(18-12(8)16-7)11(17)9-5-13(14,15)6-9/h2-4,9,11,17H,5-6H2,1H3
InChIKeyUYJOVOWSOYMXRN-UHFFFAOYSA-N
XLogP3.68
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-(6-methylthieno[2,3-b]pyridin-2-yl)methanol?
The IUPAC name of (3,3-difluorocyclobutyl)-(6-methylthieno[2,3-b]pyridin-2-yl)methanol (CID 172582316) is (3,3-difluorocyclobutyl)-(6-methylthieno[2,3-b]pyridin-2-yl)methanol.
What is the SMILES notation for (3,3-difluorocyclobutyl)-(6-methylthieno[2,3-b]pyridin-2-yl)methanol?
The canonical SMILES for (3,3-difluorocyclobutyl)-(6-methylthieno[2,3-b]pyridin-2-yl)methanol is Cc1ccc2cc(C(O)C3CC(F)(F)C3)sc2n1.
What is the InChIKey of (3,3-difluorocyclobutyl)-(6-methylthieno[2,3-b]pyridin-2-yl)methanol?
The InChIKey is UYJOVOWSOYMXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NOS/c1-7-2-3-8-4-10(18-12(8)16-7)11(17)9-5-13(14,15)6-9/h2-4,9,11,17H,5-6H2,1H3.
What are the key properties of (3,3-difluorocyclobutyl)-(6-methylthieno[2,3-b]pyridin-2-yl)methanol?
(3,3-difluorocyclobutyl)-(6-methylthieno[2,3-b]pyridin-2-yl)methanol has a molecular weight of 269.32 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-(6-methylthieno[2,3-b]pyridin-2-yl)methanol is sourced from PubChem (CID 172582316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).