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

C10H16BClN2O3 — CID 43819154

IUPAC(5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid;hydrochloride
SMILESCc1cc(B(O)O)cnc1N1CCOCC1.Cl
InChIInChI=1S/C10H15BN2O3.ClH/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;1H
InChIKeyIIFFJYFVBBCWCK-UHFFFAOYSA-N
MW258.51 g/mol
LogP-0.67
Rot. Bonds2

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

(5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid;hydrochloride (PubChem CID 43819154) has the molecular formula C10H16BClN2O3 and a molecular weight of 258.51 g/mol. Its IUPAC name is (5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid;hydrochloride.

Molecular Properties

Compound Name(5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid;hydrochloride
PubChem CID43819154
Molecular FormulaC10H16BClN2O3
Molecular Weight258.51 g/mol
Exact Mass258.09
IUPAC Name(5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid;hydrochloride
SMILESCc1cc(B(O)O)cnc1N1CCOCC1.Cl
InChIInChI=1S/C10H15BN2O3.ClH/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;1H
InChIKeyIIFFJYFVBBCWCK-UHFFFAOYSA-N
XLogP-0.67
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.51
LogP ≤ 5-0.67
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;hydrochloride?
The IUPAC name of (5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid;hydrochloride (CID 43819154) is (5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid;hydrochloride.
What is the SMILES notation for (5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid;hydrochloride?
The canonical SMILES for (5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid;hydrochloride is Cc1cc(B(O)O)cnc1N1CCOCC1.Cl.
What is the InChIKey of (5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid;hydrochloride?
The InChIKey is IIFFJYFVBBCWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BN2O3.ClH/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;1H.
What are the key properties of (5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid;hydrochloride?
(5-methyl-6-morpholin-4-yl-3-pyridinyl)boronic acid;hydrochloride has a molecular weight of 258.51 g/mol, XLogP of -0.67, 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;hydrochloride is sourced from PubChem (CID 43819154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).