3,4-dihydro-2H-pyrano[2,3-c]pyridin-5-ylboronic acid

C8H10BNO3 — CID 125145814

IUPAC3,4-dihydro-2H-pyrano[2,3-c]pyridin-5-ylboronic acid
SMILESOB(O)c1cncc2c1CCCO2
InChIInChI=1S/C8H10BNO3/c11-9(12)7-4-10-5-8-6(7)2-1-3-13-8/h4-5,11-12H,1-3H2
InChIKeyBBTPORUXAQKYQN-UHFFFAOYSA-N
MW178.98 g/mol
LogP-0.91
Rot. Bonds1

About 3,4-dihydro-2H-pyrano[2,3-c]pyridin-5-ylboronic acid

3,4-dihydro-2H-pyrano[2,3-c]pyridin-5-ylboronic acid (PubChem CID 125145814) has the molecular formula C8H10BNO3 and a molecular weight of 178.98 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrano[2,3-c]pyridin-5-ylboronic acid.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrano[2,3-c]pyridin-5-ylboronic acid
PubChem CID125145814
Molecular FormulaC8H10BNO3
Molecular Weight178.98 g/mol
Exact Mass179.08
IUPAC Name3,4-dihydro-2H-pyrano[2,3-c]pyridin-5-ylboronic acid
SMILESOB(O)c1cncc2c1CCCO2
InChIInChI=1S/C8H10BNO3/c11-9(12)7-4-10-5-8-6(7)2-1-3-13-8/h4-5,11-12H,1-3H2
InChIKeyBBTPORUXAQKYQN-UHFFFAOYSA-N
XLogP-0.91
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.98
LogP ≤ 5-0.91
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 3,4-dihydro-2H-pyrano[2,3-c]pyridin-5-ylboronic acid?
The IUPAC name of 3,4-dihydro-2H-pyrano[2,3-c]pyridin-5-ylboronic acid (CID 125145814) is 3,4-dihydro-2H-pyrano[2,3-c]pyridin-5-ylboronic acid.
What is the SMILES notation for 3,4-dihydro-2H-pyrano[2,3-c]pyridin-5-ylboronic acid?
The canonical SMILES for 3,4-dihydro-2H-pyrano[2,3-c]pyridin-5-ylboronic acid is OB(O)c1cncc2c1CCCO2.
What is the InChIKey of 3,4-dihydro-2H-pyrano[2,3-c]pyridin-5-ylboronic acid?
The InChIKey is BBTPORUXAQKYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BNO3/c11-9(12)7-4-10-5-8-6(7)2-1-3-13-8/h4-5,11-12H,1-3H2.
What are the key properties of 3,4-dihydro-2H-pyrano[2,3-c]pyridin-5-ylboronic acid?
3,4-dihydro-2H-pyrano[2,3-c]pyridin-5-ylboronic acid has a molecular weight of 178.98 g/mol, XLogP of -0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrano[2,3-c]pyridin-5-ylboronic acid is sourced from PubChem (CID 125145814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).