(2-methoxythieno[3,2-b]pyridin-7-yl)boronic acid

C8H8BNO3S — CID 163235588

IUPAC(2-methoxythieno[3,2-b]pyridin-7-yl)boronic acid
SMILESCOc1cc2nccc(B(O)O)c2s1
InChIInChI=1S/C8H8BNO3S/c1-13-7-4-6-8(14-7)5(9(11)12)2-3-10-6/h2-4,11-12H,1H3
InChIKeyVHQNJTDDQLNIQO-UHFFFAOYSA-N
MW209.03 g/mol
LogP-0.02
Rot. Bonds2

About (2-methoxythieno[3,2-b]pyridin-7-yl)boronic acid

(2-methoxythieno[3,2-b]pyridin-7-yl)boronic acid (PubChem CID 163235588) has the molecular formula C8H8BNO3S and a molecular weight of 209.03 g/mol. Its IUPAC name is (2-methoxythieno[3,2-b]pyridin-7-yl)boronic acid.

Molecular Properties

Compound Name(2-methoxythieno[3,2-b]pyridin-7-yl)boronic acid
PubChem CID163235588
Molecular FormulaC8H8BNO3S
Molecular Weight209.03 g/mol
Exact Mass209.03
IUPAC Name(2-methoxythieno[3,2-b]pyridin-7-yl)boronic acid
SMILESCOc1cc2nccc(B(O)O)c2s1
InChIInChI=1S/C8H8BNO3S/c1-13-7-4-6-8(14-7)5(9(11)12)2-3-10-6/h2-4,11-12H,1H3
InChIKeyVHQNJTDDQLNIQO-UHFFFAOYSA-N
XLogP-0.02
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.03
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (2-methoxythieno[3,2-b]pyridin-7-yl)boronic acid?
The IUPAC name of (2-methoxythieno[3,2-b]pyridin-7-yl)boronic acid (CID 163235588) is (2-methoxythieno[3,2-b]pyridin-7-yl)boronic acid.
What is the SMILES notation for (2-methoxythieno[3,2-b]pyridin-7-yl)boronic acid?
The canonical SMILES for (2-methoxythieno[3,2-b]pyridin-7-yl)boronic acid is COc1cc2nccc(B(O)O)c2s1.
What is the InChIKey of (2-methoxythieno[3,2-b]pyridin-7-yl)boronic acid?
The InChIKey is VHQNJTDDQLNIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BNO3S/c1-13-7-4-6-8(14-7)5(9(11)12)2-3-10-6/h2-4,11-12H,1H3.
What are the key properties of (2-methoxythieno[3,2-b]pyridin-7-yl)boronic acid?
(2-methoxythieno[3,2-b]pyridin-7-yl)boronic acid has a molecular weight of 209.03 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxythieno[3,2-b]pyridin-7-yl)boronic acid is sourced from PubChem (CID 163235588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).