[2-(2-pyridin-2-yl-1H-pyridin-2-yl)-4-pyridinyl]boronic acid

C15H14BN3O2 — CID 172770928

IUPAC[2-(2-pyridin-2-yl-1H-pyridin-2-yl)-4-pyridinyl]boronic acid
SMILESOB(O)c1ccnc(C2(c3ccccn3)C=CC=CN2)c1
InChIInChI=1S/C15H14BN3O2/c20-16(21)12-6-10-18-14(11-12)15(7-2-4-9-19-15)13-5-1-3-8-17-13/h1-11,19-21H
InChIKeyMYCPWAYBWPSFRG-UHFFFAOYSA-N
MW279.11 g/mol
LogP0.07
Rot. Bonds3

About [2-(2-pyridin-2-yl-1H-pyridin-2-yl)-4-pyridinyl]boronic acid

[2-(2-pyridin-2-yl-1H-pyridin-2-yl)-4-pyridinyl]boronic acid (PubChem CID 172770928) has the molecular formula C15H14BN3O2 and a molecular weight of 279.11 g/mol. Its IUPAC name is [2-(2-pyridin-2-yl-1H-pyridin-2-yl)-4-pyridinyl]boronic acid.

Molecular Properties

Compound Name[2-(2-pyridin-2-yl-1H-pyridin-2-yl)-4-pyridinyl]boronic acid
PubChem CID172770928
Molecular FormulaC15H14BN3O2
Molecular Weight279.11 g/mol
Exact Mass279.12
IUPAC Name[2-(2-pyridin-2-yl-1H-pyridin-2-yl)-4-pyridinyl]boronic acid
SMILESOB(O)c1ccnc(C2(c3ccccn3)C=CC=CN2)c1
InChIInChI=1S/C15H14BN3O2/c20-16(21)12-6-10-18-14(11-12)15(7-2-4-9-19-15)13-5-1-3-8-17-13/h1-11,19-21H
InChIKeyMYCPWAYBWPSFRG-UHFFFAOYSA-N
XLogP0.07
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.11
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-pyridin-2-yl-1H-pyridin-2-amine
CID 97049775
(2-pyridin-2-yl-1H-pyridin-2-yl) hydrogen carbonate
CID 175547748
trimethyl-[(2-pyridin-2-yl-1H-pyridin-2-yl)methyl]silane
CID 11235743
[2-(1-carbamoyl-3,3-difluorocyclobutyl)-4-pyridinyl]boronic acid
CID 175534294
N-benzyl-N-hydroxy-2-pyridin-2-yl-1H-pyridine-2-carboxamide
CID 174723238
(2-amino-4-pyridinyl)boronic acid;hydrochloride
CID 73012140
pyrazino[2,3-f][1,10]phenanthrolin-6-ylboronic acid
CID 162715170
[2-(1-methoxyethyl)-4-pyridinyl]boronic acid
CID 174149066
3-(bromomethyl)-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)-1H-pyridin-2-yl]-1,2,4-oxadiazole
CID 174583294
(2-pyridin-4-yl-4-pyridinyl)boronic acid
CID 130053448
phenylboronic acid;pyridine
CID 160947714
[2-(2-fluoroethyl)-4-pyridinyl]boronic acid
CID 123748229

Frequently Asked Questions

What is the IUPAC name of [2-(2-pyridin-2-yl-1H-pyridin-2-yl)-4-pyridinyl]boronic acid?
The IUPAC name of [2-(2-pyridin-2-yl-1H-pyridin-2-yl)-4-pyridinyl]boronic acid (CID 172770928) is [2-(2-pyridin-2-yl-1H-pyridin-2-yl)-4-pyridinyl]boronic acid.
What is the SMILES notation for [2-(2-pyridin-2-yl-1H-pyridin-2-yl)-4-pyridinyl]boronic acid?
The canonical SMILES for [2-(2-pyridin-2-yl-1H-pyridin-2-yl)-4-pyridinyl]boronic acid is OB(O)c1ccnc(C2(c3ccccn3)C=CC=CN2)c1.
What is the InChIKey of [2-(2-pyridin-2-yl-1H-pyridin-2-yl)-4-pyridinyl]boronic acid?
The InChIKey is MYCPWAYBWPSFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BN3O2/c20-16(21)12-6-10-18-14(11-12)15(7-2-4-9-19-15)13-5-1-3-8-17-13/h1-11,19-21H.
What are the key properties of [2-(2-pyridin-2-yl-1H-pyridin-2-yl)-4-pyridinyl]boronic acid?
[2-(2-pyridin-2-yl-1H-pyridin-2-yl)-4-pyridinyl]boronic acid has a molecular weight of 279.11 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-pyridin-2-yl-1H-pyridin-2-yl)-4-pyridinyl]boronic acid is sourced from PubChem (CID 172770928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).