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

C10H12BNO2S — CID 164709872

IUPAC(7-propan-2-ylthieno[3,2-b]pyridin-2-yl)boronic acid
SMILESCC(C)c1ccnc2cc(B(O)O)sc12
InChIInChI=1S/C10H12BNO2S/c1-6(2)7-3-4-12-8-5-9(11(13)14)15-10(7)8/h3-6,13-14H,1-2H3
InChIKeyKQAPHBGXMHZEDN-UHFFFAOYSA-N
MW221.09 g/mol
LogP1.10
Rot. Bonds2

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

(7-propan-2-ylthieno[3,2-b]pyridin-2-yl)boronic acid (PubChem CID 164709872) has the molecular formula C10H12BNO2S and a molecular weight of 221.09 g/mol. Its IUPAC name is (7-propan-2-ylthieno[3,2-b]pyridin-2-yl)boronic acid.

Molecular Properties

Compound Name(7-propan-2-ylthieno[3,2-b]pyridin-2-yl)boronic acid
PubChem CID164709872
Molecular FormulaC10H12BNO2S
Molecular Weight221.09 g/mol
Exact Mass221.07
IUPAC Name(7-propan-2-ylthieno[3,2-b]pyridin-2-yl)boronic acid
SMILESCC(C)c1ccnc2cc(B(O)O)sc12
InChIInChI=1S/C10H12BNO2S/c1-6(2)7-3-4-12-8-5-9(11(13)14)15-10(7)8/h3-6,13-14H,1-2H3
InChIKeyKQAPHBGXMHZEDN-UHFFFAOYSA-N
XLogP1.10
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (7-propan-2-ylthieno[3,2-b]pyridin-2-yl)boronic acid?
The IUPAC name of (7-propan-2-ylthieno[3,2-b]pyridin-2-yl)boronic acid (CID 164709872) is (7-propan-2-ylthieno[3,2-b]pyridin-2-yl)boronic acid.
What is the SMILES notation for (7-propan-2-ylthieno[3,2-b]pyridin-2-yl)boronic acid?
The canonical SMILES for (7-propan-2-ylthieno[3,2-b]pyridin-2-yl)boronic acid is CC(C)c1ccnc2cc(B(O)O)sc12.
What is the InChIKey of (7-propan-2-ylthieno[3,2-b]pyridin-2-yl)boronic acid?
The InChIKey is KQAPHBGXMHZEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BNO2S/c1-6(2)7-3-4-12-8-5-9(11(13)14)15-10(7)8/h3-6,13-14H,1-2H3.
What are the key properties of (7-propan-2-ylthieno[3,2-b]pyridin-2-yl)boronic acid?
(7-propan-2-ylthieno[3,2-b]pyridin-2-yl)boronic acid has a molecular weight of 221.09 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-propan-2-ylthieno[3,2-b]pyridin-2-yl)boronic acid is sourced from PubChem (CID 164709872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).