(2-iodo-6-methyl-3-pyridinyl)boronic acid

C6H7BINO2 — CID 91882885

IUPAC(2-iodo-6-methyl-3-pyridinyl)boronic acid
SMILESCc1ccc(B(O)O)c(I)n1
InChIInChI=1S/C6H7BINO2/c1-4-2-3-5(7(10)11)6(8)9-4/h2-3,10-11H,1H3
InChIKeyCTVSHZUDKGTUPN-UHFFFAOYSA-N
MW262.84 g/mol
LogP-0.33
Rot. Bonds1

About (2-iodo-6-methyl-3-pyridinyl)boronic acid

(2-iodo-6-methyl-3-pyridinyl)boronic acid (PubChem CID 91882885) has the molecular formula C6H7BINO2 and a molecular weight of 262.84 g/mol. Its IUPAC name is (2-iodo-6-methyl-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(2-iodo-6-methyl-3-pyridinyl)boronic acid
PubChem CID91882885
Molecular FormulaC6H7BINO2
Molecular Weight262.84 g/mol
Exact Mass262.96
IUPAC Name(2-iodo-6-methyl-3-pyridinyl)boronic acid
SMILESCc1ccc(B(O)O)c(I)n1
InChIInChI=1S/C6H7BINO2/c1-4-2-3-5(7(10)11)6(8)9-4/h2-3,10-11H,1H3
InChIKeyCTVSHZUDKGTUPN-UHFFFAOYSA-N
XLogP-0.33
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.84
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-iodo-6-methyl-3-pyridinyl)boronic acid?
The IUPAC name of (2-iodo-6-methyl-3-pyridinyl)boronic acid (CID 91882885) is (2-iodo-6-methyl-3-pyridinyl)boronic acid.
What is the SMILES notation for (2-iodo-6-methyl-3-pyridinyl)boronic acid?
The canonical SMILES for (2-iodo-6-methyl-3-pyridinyl)boronic acid is Cc1ccc(B(O)O)c(I)n1.
What is the InChIKey of (2-iodo-6-methyl-3-pyridinyl)boronic acid?
The InChIKey is CTVSHZUDKGTUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BINO2/c1-4-2-3-5(7(10)11)6(8)9-4/h2-3,10-11H,1H3.
What are the key properties of (2-iodo-6-methyl-3-pyridinyl)boronic acid?
(2-iodo-6-methyl-3-pyridinyl)boronic acid has a molecular weight of 262.84 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodo-6-methyl-3-pyridinyl)boronic acid is sourced from PubChem (CID 91882885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).