(5-chloro-2-methoxy-4-pyridinyl)boronic acid

C6H7BClNO3 — CID 11030558

IUPAC(5-chloro-2-methoxy-4-pyridinyl)boronic acid
SMILESCOc1cc(B(O)O)c(Cl)cn1
InChIInChI=1S/C6H7BClNO3/c1-12-6-2-4(7(10)11)5(8)3-9-6/h2-3,10-11H,1H3
InChIKeyONFAPGPPGOLJST-UHFFFAOYSA-N
MW187.39 g/mol
LogP-0.58
Rot. Bonds2

About (5-chloro-2-methoxy-4-pyridinyl)boronic acid

(5-chloro-2-methoxy-4-pyridinyl)boronic acid (PubChem CID 11030558) has the molecular formula C6H7BClNO3 and a molecular weight of 187.39 g/mol. Its IUPAC name is (5-chloro-2-methoxy-4-pyridinyl)boronic acid.

Molecular Properties

Compound Name(5-chloro-2-methoxy-4-pyridinyl)boronic acid
PubChem CID11030558
Molecular FormulaC6H7BClNO3
Molecular Weight187.39 g/mol
Exact Mass187.02
IUPAC Name(5-chloro-2-methoxy-4-pyridinyl)boronic acid
SMILESCOc1cc(B(O)O)c(Cl)cn1
InChIInChI=1S/C6H7BClNO3/c1-12-6-2-4(7(10)11)5(8)3-9-6/h2-3,10-11H,1H3
InChIKeyONFAPGPPGOLJST-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': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxy-4-pyridinyl)boronic acid?
The IUPAC name of (5-chloro-2-methoxy-4-pyridinyl)boronic acid (CID 11030558) is (5-chloro-2-methoxy-4-pyridinyl)boronic acid.
What is the SMILES notation for (5-chloro-2-methoxy-4-pyridinyl)boronic acid?
The canonical SMILES for (5-chloro-2-methoxy-4-pyridinyl)boronic acid is COc1cc(B(O)O)c(Cl)cn1.
What is the InChIKey of (5-chloro-2-methoxy-4-pyridinyl)boronic acid?
The InChIKey is ONFAPGPPGOLJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BClNO3/c1-12-6-2-4(7(10)11)5(8)3-9-6/h2-3,10-11H,1H3.
What are the key properties of (5-chloro-2-methoxy-4-pyridinyl)boronic acid?
(5-chloro-2-methoxy-4-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 (5-chloro-2-methoxy-4-pyridinyl)boronic acid is sourced from PubChem (CID 11030558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).