(6-chloro-2-methoxy-3-pyridinyl)boronic acid

C6H7BClNO3 — CID 46738928

IUPAC(6-chloro-2-methoxy-3-pyridinyl)boronic acid
SMILESCOc1nc(Cl)ccc1B(O)O
InChIInChI=1S/C6H7BClNO3/c1-12-6-4(7(10)11)2-3-5(8)9-6/h2-3,10-11H,1H3
InChIKeyQMTFZVCHSRMZJW-UHFFFAOYSA-N
MW187.39 g/mol
LogP-0.58
Rot. Bonds2

About (6-chloro-2-methoxy-3-pyridinyl)boronic acid

(6-chloro-2-methoxy-3-pyridinyl)boronic acid (PubChem CID 46738928) has the molecular formula C6H7BClNO3 and a molecular weight of 187.39 g/mol. Its IUPAC name is (6-chloro-2-methoxy-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(6-chloro-2-methoxy-3-pyridinyl)boronic acid
PubChem CID46738928
Molecular FormulaC6H7BClNO3
Molecular Weight187.39 g/mol
Exact Mass187.02
IUPAC Name(6-chloro-2-methoxy-3-pyridinyl)boronic acid
SMILESCOc1nc(Cl)ccc1B(O)O
InChIInChI=1S/C6H7BClNO3/c1-12-6-4(7(10)11)2-3-5(8)9-6/h2-3,10-11H,1H3
InChIKeyQMTFZVCHSRMZJW-UHFFFAOYSA-N
XLogP-0.58
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.39
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methoxy-3-pyridinyl)boronic acid?
The IUPAC name of (6-chloro-2-methoxy-3-pyridinyl)boronic acid (CID 46738928) is (6-chloro-2-methoxy-3-pyridinyl)boronic acid.
What is the SMILES notation for (6-chloro-2-methoxy-3-pyridinyl)boronic acid?
The canonical SMILES for (6-chloro-2-methoxy-3-pyridinyl)boronic acid is COc1nc(Cl)ccc1B(O)O.
What is the InChIKey of (6-chloro-2-methoxy-3-pyridinyl)boronic acid?
The InChIKey is QMTFZVCHSRMZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BClNO3/c1-12-6-4(7(10)11)2-3-5(8)9-6/h2-3,10-11H,1H3.
What are the key properties of (6-chloro-2-methoxy-3-pyridinyl)boronic acid?
(6-chloro-2-methoxy-3-pyridinyl)boronic acid has a molecular weight of 187.39 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methoxy-3-pyridinyl)boronic acid is sourced from PubChem (CID 46738928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).