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

C7H9BClNO3 — CID 91658787

IUPAC(5-chloro-2-methoxy-6-methyl-3-pyridinyl)boronic acid
SMILESCOc1nc(C)c(Cl)cc1B(O)O
InChIInChI=1S/C7H9BClNO3/c1-4-6(9)3-5(8(11)12)7(10-4)13-2/h3,11-12H,1-2H3
InChIKeyCYQRZZIAQDQBHW-UHFFFAOYSA-N
MW201.42 g/mol
LogP-0.27
Rot. Bonds2

About (5-chloro-2-methoxy-6-methyl-3-pyridinyl)boronic acid

(5-chloro-2-methoxy-6-methyl-3-pyridinyl)boronic acid (PubChem CID 91658787) has the molecular formula C7H9BClNO3 and a molecular weight of 201.42 g/mol. Its IUPAC name is (5-chloro-2-methoxy-6-methyl-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(5-chloro-2-methoxy-6-methyl-3-pyridinyl)boronic acid
PubChem CID91658787
Molecular FormulaC7H9BClNO3
Molecular Weight201.42 g/mol
Exact Mass201.04
IUPAC Name(5-chloro-2-methoxy-6-methyl-3-pyridinyl)boronic acid
SMILESCOc1nc(C)c(Cl)cc1B(O)O
InChIInChI=1S/C7H9BClNO3/c1-4-6(9)3-5(8(11)12)7(10-4)13-2/h3,11-12H,1-2H3
InChIKeyCYQRZZIAQDQBHW-UHFFFAOYSA-N
XLogP-0.27
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.42
LogP ≤ 5-0.27
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-6-methyl-3-pyridinyl)boronic acid?
The IUPAC name of (5-chloro-2-methoxy-6-methyl-3-pyridinyl)boronic acid (CID 91658787) is (5-chloro-2-methoxy-6-methyl-3-pyridinyl)boronic acid.
What is the SMILES notation for (5-chloro-2-methoxy-6-methyl-3-pyridinyl)boronic acid?
The canonical SMILES for (5-chloro-2-methoxy-6-methyl-3-pyridinyl)boronic acid is COc1nc(C)c(Cl)cc1B(O)O.
What is the InChIKey of (5-chloro-2-methoxy-6-methyl-3-pyridinyl)boronic acid?
The InChIKey is CYQRZZIAQDQBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BClNO3/c1-4-6(9)3-5(8(11)12)7(10-4)13-2/h3,11-12H,1-2H3.
What are the key properties of (5-chloro-2-methoxy-6-methyl-3-pyridinyl)boronic acid?
(5-chloro-2-methoxy-6-methyl-3-pyridinyl)boronic acid has a molecular weight of 201.42 g/mol, XLogP of -0.27, 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-6-methyl-3-pyridinyl)boronic acid is sourced from PubChem (CID 91658787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).