(4-amino-2-pyridinyl)boronic acid

C5H7BN2O2 — CID 53398486

IUPAC(4-amino-2-pyridinyl)boronic acid
SMILESNc1ccnc(B(O)O)c1
InChIInChI=1S/C5H7BN2O2/c7-4-1-2-8-5(3-4)6(9)10/h1-3,9-10H,(H2,7,8)
InChIKeyNKITZSPVMYSQLD-UHFFFAOYSA-N
MW137.93 g/mol
LogP-1.66
Rot. Bonds1

About (4-amino-2-pyridinyl)boronic acid

(4-amino-2-pyridinyl)boronic acid (PubChem CID 53398486) has the molecular formula C5H7BN2O2 and a molecular weight of 137.93 g/mol. Its IUPAC name is (4-amino-2-pyridinyl)boronic acid.

Molecular Properties

Compound Name(4-amino-2-pyridinyl)boronic acid
PubChem CID53398486
Molecular FormulaC5H7BN2O2
Molecular Weight137.93 g/mol
Exact Mass138.06
IUPAC Name(4-amino-2-pyridinyl)boronic acid
SMILESNc1ccnc(B(O)O)c1
InChIInChI=1S/C5H7BN2O2/c7-4-1-2-8-5(3-4)6(9)10/h1-3,9-10H,(H2,7,8)
InChIKeyNKITZSPVMYSQLD-UHFFFAOYSA-N
XLogP-1.66
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.93
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
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 (4-amino-2-pyridinyl)boronic acid?
The IUPAC name of (4-amino-2-pyridinyl)boronic acid (CID 53398486) is (4-amino-2-pyridinyl)boronic acid.
What is the SMILES notation for (4-amino-2-pyridinyl)boronic acid?
The canonical SMILES for (4-amino-2-pyridinyl)boronic acid is Nc1ccnc(B(O)O)c1.
What is the InChIKey of (4-amino-2-pyridinyl)boronic acid?
The InChIKey is NKITZSPVMYSQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BN2O2/c7-4-1-2-8-5(3-4)6(9)10/h1-3,9-10H,(H2,7,8).
What are the key properties of (4-amino-2-pyridinyl)boronic acid?
(4-amino-2-pyridinyl)boronic acid has a molecular weight of 137.93 g/mol, XLogP of -1.66, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-pyridinyl)boronic acid is sourced from PubChem (CID 53398486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).