(6-cyano-5-methoxythieno[3,2-b]pyridin-3-yl)boronic acid

C9H7BN2O3S — CID 142471121

IUPAC(6-cyano-5-methoxythieno[3,2-b]pyridin-3-yl)boronic acid
SMILESCOc1nc2c(B(O)O)csc2cc1C#N
InChIInChI=1S/C9H7BN2O3S/c1-15-9-5(3-11)2-7-8(12-9)6(4-16-7)10(13)14/h2,4,13-14H,1H3
InChIKeyPZAOVPMCEBLDLK-UHFFFAOYSA-N
MW234.04 g/mol
LogP-0.14
Rot. Bonds2

About (6-cyano-5-methoxythieno[3,2-b]pyridin-3-yl)boronic acid

(6-cyano-5-methoxythieno[3,2-b]pyridin-3-yl)boronic acid (PubChem CID 142471121) has the molecular formula C9H7BN2O3S and a molecular weight of 234.04 g/mol. Its IUPAC name is (6-cyano-5-methoxythieno[3,2-b]pyridin-3-yl)boronic acid.

Molecular Properties

Compound Name(6-cyano-5-methoxythieno[3,2-b]pyridin-3-yl)boronic acid
PubChem CID142471121
Molecular FormulaC9H7BN2O3S
Molecular Weight234.04 g/mol
Exact Mass234.03
IUPAC Name(6-cyano-5-methoxythieno[3,2-b]pyridin-3-yl)boronic acid
SMILESCOc1nc2c(B(O)O)csc2cc1C#N
InChIInChI=1S/C9H7BN2O3S/c1-15-9-5(3-11)2-7-8(12-9)6(4-16-7)10(13)14/h2,4,13-14H,1H3
InChIKeyPZAOVPMCEBLDLK-UHFFFAOYSA-N
XLogP-0.14
TPSA86.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.04
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-cyano-5-methoxythieno[3,2-b]pyridin-3-yl)boronic acid?
The IUPAC name of (6-cyano-5-methoxythieno[3,2-b]pyridin-3-yl)boronic acid (CID 142471121) is (6-cyano-5-methoxythieno[3,2-b]pyridin-3-yl)boronic acid.
What is the SMILES notation for (6-cyano-5-methoxythieno[3,2-b]pyridin-3-yl)boronic acid?
The canonical SMILES for (6-cyano-5-methoxythieno[3,2-b]pyridin-3-yl)boronic acid is COc1nc2c(B(O)O)csc2cc1C#N.
What is the InChIKey of (6-cyano-5-methoxythieno[3,2-b]pyridin-3-yl)boronic acid?
The InChIKey is PZAOVPMCEBLDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BN2O3S/c1-15-9-5(3-11)2-7-8(12-9)6(4-16-7)10(13)14/h2,4,13-14H,1H3.
What are the key properties of (6-cyano-5-methoxythieno[3,2-b]pyridin-3-yl)boronic acid?
(6-cyano-5-methoxythieno[3,2-b]pyridin-3-yl)boronic acid has a molecular weight of 234.04 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyano-5-methoxythieno[3,2-b]pyridin-3-yl)boronic acid is sourced from PubChem (CID 142471121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).