(6-chlorothieno[2,3-b]pyridin-2-yl)-(oxan-4-yl)methanol

C13H14ClNO2S — CID 172542463

IUPAC(6-chlorothieno[2,3-b]pyridin-2-yl)-(oxan-4-yl)methanol
SMILESOC(c1cc2ccc(Cl)nc2s1)C1CCOCC1
InChIInChI=1S/C13H14ClNO2S/c14-11-2-1-9-7-10(18-13(9)15-11)12(16)8-3-5-17-6-4-8/h1-2,7-8,12,16H,3-6H2
InChIKeyMGJAEEOQABKOPQ-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.41
Rot. Bonds2

About (6-chlorothieno[2,3-b]pyridin-2-yl)-(oxan-4-yl)methanol

(6-chlorothieno[2,3-b]pyridin-2-yl)-(oxan-4-yl)methanol (PubChem CID 172542463) has the molecular formula C13H14ClNO2S and a molecular weight of 283.78 g/mol. Its IUPAC name is (6-chlorothieno[2,3-b]pyridin-2-yl)-(oxan-4-yl)methanol.

Molecular Properties

Compound Name(6-chlorothieno[2,3-b]pyridin-2-yl)-(oxan-4-yl)methanol
PubChem CID172542463
Molecular FormulaC13H14ClNO2S
Molecular Weight283.78 g/mol
Exact Mass283.04
IUPAC Name(6-chlorothieno[2,3-b]pyridin-2-yl)-(oxan-4-yl)methanol
SMILESOC(c1cc2ccc(Cl)nc2s1)C1CCOCC1
InChIInChI=1S/C13H14ClNO2S/c14-11-2-1-9-7-10(18-13(9)15-11)12(16)8-3-5-17-6-4-8/h1-2,7-8,12,16H,3-6H2
InChIKeyMGJAEEOQABKOPQ-UHFFFAOYSA-N
XLogP3.41
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-chlorothieno[2,3-b]pyridin-2-yl)-(oxan-4-yl)methanol?
The IUPAC name of (6-chlorothieno[2,3-b]pyridin-2-yl)-(oxan-4-yl)methanol (CID 172542463) is (6-chlorothieno[2,3-b]pyridin-2-yl)-(oxan-4-yl)methanol.
What is the SMILES notation for (6-chlorothieno[2,3-b]pyridin-2-yl)-(oxan-4-yl)methanol?
The canonical SMILES for (6-chlorothieno[2,3-b]pyridin-2-yl)-(oxan-4-yl)methanol is OC(c1cc2ccc(Cl)nc2s1)C1CCOCC1.
What is the InChIKey of (6-chlorothieno[2,3-b]pyridin-2-yl)-(oxan-4-yl)methanol?
The InChIKey is MGJAEEOQABKOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2S/c14-11-2-1-9-7-10(18-13(9)15-11)12(16)8-3-5-17-6-4-8/h1-2,7-8,12,16H,3-6H2.
What are the key properties of (6-chlorothieno[2,3-b]pyridin-2-yl)-(oxan-4-yl)methanol?
(6-chlorothieno[2,3-b]pyridin-2-yl)-(oxan-4-yl)methanol has a molecular weight of 283.78 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chlorothieno[2,3-b]pyridin-2-yl)-(oxan-4-yl)methanol is sourced from PubChem (CID 172542463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).