(3-tert-butyl-2-pyridinyl)boronic acid

C9H14BNO2 — CID 150712343

IUPAC(3-tert-butyl-2-pyridinyl)boronic acid
SMILESCC(C)(C)c1cccnc1B(O)O
InChIInChI=1S/C9H14BNO2/c1-9(2,3)7-5-4-6-11-8(7)10(12)13/h4-6,12-13H,1-3H3
InChIKeyJODRRLNJTAMASH-UHFFFAOYSA-N
MW179.03 g/mol
LogP0.06
Rot. Bonds1

About (3-tert-butyl-2-pyridinyl)boronic acid

(3-tert-butyl-2-pyridinyl)boronic acid (PubChem CID 150712343) has the molecular formula C9H14BNO2 and a molecular weight of 179.03 g/mol. Its IUPAC name is (3-tert-butyl-2-pyridinyl)boronic acid.

Molecular Properties

Compound Name(3-tert-butyl-2-pyridinyl)boronic acid
PubChem CID150712343
Molecular FormulaC9H14BNO2
Molecular Weight179.03 g/mol
Exact Mass179.11
IUPAC Name(3-tert-butyl-2-pyridinyl)boronic acid
SMILESCC(C)(C)c1cccnc1B(O)O
InChIInChI=1S/C9H14BNO2/c1-9(2,3)7-5-4-6-11-8(7)10(12)13/h4-6,12-13H,1-3H3
InChIKeyJODRRLNJTAMASH-UHFFFAOYSA-N
XLogP0.06
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.03
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 91983969
CID 91983969
[3-(3,3-dimethylbutan-2-yl)-2-pyridinyl]boronic acid
CID 68646308
2-(3-tert-butyl-2-pyridinyl)propan-2-ol
CID 166568505
3-tert-butyl-2-methylpyridine;ethane
CID 90980079
(3-formyl-2-pyridinyl)boronic acid
CID 130822828
3-tert-butyl-2-ethylpyridine
CID 20664467
3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)pyridine
CID 122695001
CID 175472927
CID 175472927
5,8-ditert-butylquinoline;ethane
CID 142102448
2-(2-methyl-3-pyridinyl)propan-2-ol
CID 45091732
tris(1,2-ditert-butylbenzene);methanol
CID 175055057
7-tert-butyl-8-methylquinoline
CID 146326372

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-2-pyridinyl)boronic acid?
The IUPAC name of (3-tert-butyl-2-pyridinyl)boronic acid (CID 150712343) is (3-tert-butyl-2-pyridinyl)boronic acid.
What is the SMILES notation for (3-tert-butyl-2-pyridinyl)boronic acid?
The canonical SMILES for (3-tert-butyl-2-pyridinyl)boronic acid is CC(C)(C)c1cccnc1B(O)O.
What is the InChIKey of (3-tert-butyl-2-pyridinyl)boronic acid?
The InChIKey is JODRRLNJTAMASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BNO2/c1-9(2,3)7-5-4-6-11-8(7)10(12)13/h4-6,12-13H,1-3H3.
What are the key properties of (3-tert-butyl-2-pyridinyl)boronic acid?
(3-tert-butyl-2-pyridinyl)boronic acid has a molecular weight of 179.03 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-2-pyridinyl)boronic acid is sourced from PubChem (CID 150712343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).