(2-fluoro-5-methylsulfanyl-3-pyridinyl)boronic acid

C6H7BFNO2S — CID 74891203

IUPAC(2-fluoro-5-methylsulfanyl-3-pyridinyl)boronic acid
SMILESCSc1cnc(F)c(B(O)O)c1
InChIInChI=1S/C6H7BFNO2S/c1-12-4-2-5(7(10)11)6(8)9-3-4/h2-3,10-11H,1H3
InChIKeyYWRDXIZMQZFIBK-UHFFFAOYSA-N
MW187.00 g/mol
LogP-0.38
Rot. Bonds2

About (2-fluoro-5-methylsulfanyl-3-pyridinyl)boronic acid

(2-fluoro-5-methylsulfanyl-3-pyridinyl)boronic acid (PubChem CID 74891203) has the molecular formula C6H7BFNO2S and a molecular weight of 187.00 g/mol. Its IUPAC name is (2-fluoro-5-methylsulfanyl-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(2-fluoro-5-methylsulfanyl-3-pyridinyl)boronic acid
PubChem CID74891203
Molecular FormulaC6H7BFNO2S
Molecular Weight187.00 g/mol
Exact Mass187.03
IUPAC Name(2-fluoro-5-methylsulfanyl-3-pyridinyl)boronic acid
SMILESCSc1cnc(F)c(B(O)O)c1
InChIInChI=1S/C6H7BFNO2S/c1-12-4-2-5(7(10)11)6(8)9-3-4/h2-3,10-11H,1H3
InChIKeyYWRDXIZMQZFIBK-UHFFFAOYSA-N
XLogP-0.38
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.00
LogP ≤ 5-0.38
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 (2-fluoro-5-methylsulfanyl-3-pyridinyl)boronic acid?
The IUPAC name of (2-fluoro-5-methylsulfanyl-3-pyridinyl)boronic acid (CID 74891203) is (2-fluoro-5-methylsulfanyl-3-pyridinyl)boronic acid.
What is the SMILES notation for (2-fluoro-5-methylsulfanyl-3-pyridinyl)boronic acid?
The canonical SMILES for (2-fluoro-5-methylsulfanyl-3-pyridinyl)boronic acid is CSc1cnc(F)c(B(O)O)c1.
What is the InChIKey of (2-fluoro-5-methylsulfanyl-3-pyridinyl)boronic acid?
The InChIKey is YWRDXIZMQZFIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BFNO2S/c1-12-4-2-5(7(10)11)6(8)9-3-4/h2-3,10-11H,1H3.
What are the key properties of (2-fluoro-5-methylsulfanyl-3-pyridinyl)boronic acid?
(2-fluoro-5-methylsulfanyl-3-pyridinyl)boronic acid has a molecular weight of 187.00 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylsulfanyl-3-pyridinyl)boronic acid is sourced from PubChem (CID 74891203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).