(5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid

C10H15BN2O3 — CID 43819155

IUPAC(5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid
SMILESCc1cc(B(O)O)cnc1N1CCOCC1
InChIInChI=1S/C10H15BN2O3/c1-8-6-9(11(14)15)7-12-10(8)13-2-4-16-5-3-13/h6-7,14-15H,2-5H2,1H3
InChIKeyPTYCDSJIQDOWIQ-UHFFFAOYSA-N
MW222.05 g/mol
LogP-1.09
Rot. Bonds2

About (5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid

(5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid (PubChem CID 43819155) has the molecular formula C10H15BN2O3 and a molecular weight of 222.05 g/mol. Its IUPAC name is (5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid
PubChem CID43819155
Molecular FormulaC10H15BN2O3
Molecular Weight222.05 g/mol
Exact Mass222.12
IUPAC Name(5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid
SMILESCc1cc(B(O)O)cnc1N1CCOCC1
InChIInChI=1S/C10H15BN2O3/c1-8-6-9(11(14)15)7-12-10(8)13-2-4-16-5-3-13/h6-7,14-15H,2-5H2,1H3
InChIKeyPTYCDSJIQDOWIQ-UHFFFAOYSA-N
XLogP-1.09
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.05
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid?
The IUPAC name of (5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid (CID 43819155) is (5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid.
What is the SMILES notation for (5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid?
The canonical SMILES for (5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid is Cc1cc(B(O)O)cnc1N1CCOCC1.
What is the InChIKey of (5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid?
The InChIKey is PTYCDSJIQDOWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BN2O3/c1-8-6-9(11(14)15)7-12-10(8)13-2-4-16-5-3-13/h6-7,14-15H,2-5H2,1H3.
What are the key properties of (5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid?
(5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid has a molecular weight of 222.05 g/mol, XLogP of -1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid is sourced from PubChem (CID 43819155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).