(2-pyridin-4-yl-4-pyridinyl)boronic acid

C10H9BN2O2 — CID 130053448

IUPAC(2-pyridin-4-yl-4-pyridinyl)boronic acid
SMILESOB(O)c1ccnc(-c2ccncc2)c1
InChIInChI=1S/C10H9BN2O2/c14-11(15)9-3-6-13-10(7-9)8-1-4-12-5-2-8/h1-7,14-15H
InChIKeyOYYORYHCCOGCAR-UHFFFAOYSA-N
MW200.01 g/mol
LogP-0.18
Rot. Bonds2

About (2-pyridin-4-yl-4-pyridinyl)boronic acid

(2-pyridin-4-yl-4-pyridinyl)boronic acid (PubChem CID 130053448) has the molecular formula C10H9BN2O2 and a molecular weight of 200.01 g/mol. Its IUPAC name is (2-pyridin-4-yl-4-pyridinyl)boronic acid.

Molecular Properties

Compound Name(2-pyridin-4-yl-4-pyridinyl)boronic acid
PubChem CID130053448
Molecular FormulaC10H9BN2O2
Molecular Weight200.01 g/mol
Exact Mass200.08
IUPAC Name(2-pyridin-4-yl-4-pyridinyl)boronic acid
SMILESOB(O)c1ccnc(-c2ccncc2)c1
InChIInChI=1S/C10H9BN2O2/c14-11(15)9-3-6-13-10(7-9)8-1-4-12-5-2-8/h1-7,14-15H
InChIKeyOYYORYHCCOGCAR-UHFFFAOYSA-N
XLogP-0.18
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.01
LogP ≤ 5-0.18
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 (2-pyridin-4-yl-4-pyridinyl)boronic acid?
The IUPAC name of (2-pyridin-4-yl-4-pyridinyl)boronic acid (CID 130053448) is (2-pyridin-4-yl-4-pyridinyl)boronic acid.
What is the SMILES notation for (2-pyridin-4-yl-4-pyridinyl)boronic acid?
The canonical SMILES for (2-pyridin-4-yl-4-pyridinyl)boronic acid is OB(O)c1ccnc(-c2ccncc2)c1.
What is the InChIKey of (2-pyridin-4-yl-4-pyridinyl)boronic acid?
The InChIKey is OYYORYHCCOGCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BN2O2/c14-11(15)9-3-6-13-10(7-9)8-1-4-12-5-2-8/h1-7,14-15H.
What are the key properties of (2-pyridin-4-yl-4-pyridinyl)boronic acid?
(2-pyridin-4-yl-4-pyridinyl)boronic acid has a molecular weight of 200.01 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-4-yl-4-pyridinyl)boronic acid is sourced from PubChem (CID 130053448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).