(6-ethyl-5-hydroxy-3-pyridinyl)boronic acid

C7H10BNO3 — CID 91882776

IUPAC(6-ethyl-5-hydroxy-3-pyridinyl)boronic acid
SMILESCCc1ncc(B(O)O)cc1O
InChIInChI=1S/C7H10BNO3/c1-2-6-7(10)3-5(4-9-6)8(11)12/h3-4,10-12H,2H2,1H3
InChIKeyFFJLBRCUVBVDFB-UHFFFAOYSA-N
MW166.97 g/mol
LogP-0.97
Rot. Bonds2

About (6-ethyl-5-hydroxy-3-pyridinyl)boronic acid

(6-ethyl-5-hydroxy-3-pyridinyl)boronic acid (PubChem CID 91882776) has the molecular formula C7H10BNO3 and a molecular weight of 166.97 g/mol. Its IUPAC name is (6-ethyl-5-hydroxy-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(6-ethyl-5-hydroxy-3-pyridinyl)boronic acid
PubChem CID91882776
Molecular FormulaC7H10BNO3
Molecular Weight166.97 g/mol
Exact Mass167.08
IUPAC Name(6-ethyl-5-hydroxy-3-pyridinyl)boronic acid
SMILESCCc1ncc(B(O)O)cc1O
InChIInChI=1S/C7H10BNO3/c1-2-6-7(10)3-5(4-9-6)8(11)12/h3-4,10-12H,2H2,1H3
InChIKeyFFJLBRCUVBVDFB-UHFFFAOYSA-N
XLogP-0.97
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.97
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-hydroxy-6-iodo-3-pyridinyl)boronic acid
CID 91882767
[6-ethyl-5-[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]-3-pyridinyl]boronic acid
CID 166166455
(2-aminopyrimidin-5-yl)boronic acid;ethanamine
CID 171527121
(5-methylsulfanyl-3-pyridinyl)boronic acid;hydrochloride
CID 53398531
2-(chloromethyl)-5-methylpyridin-3-ol;hydrochloride
CID 12721442
(6-chloro-5-methyl-3-pyridinyl)boronic acid;hydrate
CID 71432814
[6-methyl-5-(2-methylpropyl)-3-pyridinyl]boronic acid
CID 170899507
[2-(propylamino)pyrimidin-5-yl]boronic acid
CID 166595107
(5-ethoxycarbonyl-6-methoxy-3-pyridinyl)boronic acid
CID 170902896
(5-chloro-6-fluoro-3-pyridinyl)boronic acid
CID 71305234
(2-propan-2-ylsulfanylpyrimidin-5-yl)boronic acid
CID 75485717
(6-amino-5-fluoro-3-pyridinyl)boronic acid
CID 91882688

Frequently Asked Questions

What is the IUPAC name of (6-ethyl-5-hydroxy-3-pyridinyl)boronic acid?
The IUPAC name of (6-ethyl-5-hydroxy-3-pyridinyl)boronic acid (CID 91882776) is (6-ethyl-5-hydroxy-3-pyridinyl)boronic acid.
What is the SMILES notation for (6-ethyl-5-hydroxy-3-pyridinyl)boronic acid?
The canonical SMILES for (6-ethyl-5-hydroxy-3-pyridinyl)boronic acid is CCc1ncc(B(O)O)cc1O.
What is the InChIKey of (6-ethyl-5-hydroxy-3-pyridinyl)boronic acid?
The InChIKey is FFJLBRCUVBVDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BNO3/c1-2-6-7(10)3-5(4-9-6)8(11)12/h3-4,10-12H,2H2,1H3.
What are the key properties of (6-ethyl-5-hydroxy-3-pyridinyl)boronic acid?
(6-ethyl-5-hydroxy-3-pyridinyl)boronic acid has a molecular weight of 166.97 g/mol, XLogP of -0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-5-hydroxy-3-pyridinyl)boronic acid is sourced from PubChem (CID 91882776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).