[2-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]boronic acid

C8H9BN2O3 — CID 170984913

IUPAC[2-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]boronic acid
SMILESOCc1cn2ccc(B(O)O)cc2n1
InChIInChI=1S/C8H9BN2O3/c12-5-7-4-11-2-1-6(9(13)14)3-8(11)10-7/h1-4,12-14H,5H2
InChIKeyJMYQDCZQSNBFAG-UHFFFAOYSA-N
MW191.98 g/mol
LogP-1.49
Rot. Bonds2

About [2-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]boronic acid

[2-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]boronic acid (PubChem CID 170984913) has the molecular formula C8H9BN2O3 and a molecular weight of 191.98 g/mol. Its IUPAC name is [2-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]boronic acid.

Molecular Properties

Compound Name[2-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]boronic acid
PubChem CID170984913
Molecular FormulaC8H9BN2O3
Molecular Weight191.98 g/mol
Exact Mass192.07
IUPAC Name[2-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]boronic acid
SMILESOCc1cn2ccc(B(O)O)cc2n1
InChIInChI=1S/C8H9BN2O3/c12-5-7-4-11-2-1-6(9(13)14)3-8(11)10-7/h1-4,12-14H,5H2
InChIKeyJMYQDCZQSNBFAG-UHFFFAOYSA-N
XLogP-1.49
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.98
LogP ≤ 5-1.49
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

(2-methylimidazo[1,2-a]pyridin-7-yl)boronic acid
CID 142510514
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
(2-ethoxycarbonylimidazo[1,2-a]pyridin-7-yl)boronic acid
CID 167350393
CID 89427005
CID 89427005
2-(bromomethyl)-7-iodoimidazo[1,2-a]pyridine;hydrobromide
CID 135397575
(2-methylimidazo[1,2-a]pyridin-7-yl)methanol;hydrochloride
CID 19883453
2-(7-chloroimidazo[1,2-a]pyridin-2-yl)ethanethioamide
CID 82343240
4-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]phenol
CID 117135218
7-chloro-2-(ethoxymethyl)imidazo[1,2-a]pyridine
CID 123431873
2-(methylaminomethyl)imidazo[1,2-a]pyridin-7-amine
CID 117256321
2-(7-bromoimidazo[1,2-a]pyridin-2-yl)acetaldehyde
CID 83898362
2-(7-methylimidazo[1,2-a]pyridin-2-yl)acetonitrile
CID 82055270

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]boronic acid?
The IUPAC name of [2-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]boronic acid (CID 170984913) is [2-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]boronic acid.
What is the SMILES notation for [2-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]boronic acid?
The canonical SMILES for [2-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]boronic acid is OCc1cn2ccc(B(O)O)cc2n1.
What is the InChIKey of [2-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]boronic acid?
The InChIKey is JMYQDCZQSNBFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BN2O3/c12-5-7-4-11-2-1-6(9(13)14)3-8(11)10-7/h1-4,12-14H,5H2.
What are the key properties of [2-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]boronic acid?
[2-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]boronic acid has a molecular weight of 191.98 g/mol, XLogP of -1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]boronic acid is sourced from PubChem (CID 170984913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).