(4-chlorothieno[2,3-c]pyridin-2-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone

C12H11ClN2O2S — CID 154788788

IUPAC(4-chlorothieno[2,3-c]pyridin-2-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
SMILESO=C(c1cc2c(Cl)cncc2s1)N1CC(CO)C1
InChIInChI=1S/C12H11ClN2O2S/c13-9-2-14-3-11-8(9)1-10(18-11)12(17)15-4-7(5-15)6-16/h1-3,7,16H,4-6H2
InChIKeyWUFDEVCBPUOADV-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.01
Rot. Bonds2

About (4-chlorothieno[2,3-c]pyridin-2-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone

(4-chlorothieno[2,3-c]pyridin-2-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone (PubChem CID 154788788) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is (4-chlorothieno[2,3-c]pyridin-2-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorothieno[2,3-c]pyridin-2-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
PubChem CID154788788
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name(4-chlorothieno[2,3-c]pyridin-2-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
SMILESO=C(c1cc2c(Cl)cncc2s1)N1CC(CO)C1
InChIInChI=1S/C12H11ClN2O2S/c13-9-2-14-3-11-8(9)1-10(18-11)12(17)15-4-7(5-15)6-16/h1-3,7,16H,4-6H2
InChIKeyWUFDEVCBPUOADV-UHFFFAOYSA-N
XLogP2.01
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorothieno[2,3-c]pyridin-2-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The IUPAC name of (4-chlorothieno[2,3-c]pyridin-2-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone (CID 154788788) is (4-chlorothieno[2,3-c]pyridin-2-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone.
What is the SMILES notation for (4-chlorothieno[2,3-c]pyridin-2-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The canonical SMILES for (4-chlorothieno[2,3-c]pyridin-2-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone is O=C(c1cc2c(Cl)cncc2s1)N1CC(CO)C1.
What is the InChIKey of (4-chlorothieno[2,3-c]pyridin-2-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The InChIKey is WUFDEVCBPUOADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-9-2-14-3-11-8(9)1-10(18-11)12(17)15-4-7(5-15)6-16/h1-3,7,16H,4-6H2.
What are the key properties of (4-chlorothieno[2,3-c]pyridin-2-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone?
(4-chlorothieno[2,3-c]pyridin-2-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone has a molecular weight of 282.75 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorothieno[2,3-c]pyridin-2-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 154788788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).