2-(Methylcarboxy)pyridine-5-boronicacid

• CAS: 1072945-86-8
• Catalog Number: ACM1072945868
• Category: Boro-Amino Acids
• Molecular Weight: 181.05
• Molecular Formula: C₇H₈BNO₄
• Synonyms: 6-(Methoxycarbonyl)pyridine-3-boronic acid, 1072945-86-8, 6-(Methylcarboxy)pyridine-3-boronic acid, (6-(Methoxycarbonyl)pyridin-3-yl)boronic acid, 2-(METHYLCARBOXY)PYRIDINE-5-BORONIC ACID, ACMC-2098qr, SureCN364090, CTK4A5210, ANW-15601, AKOS006329260, AB52578, AG-D-22453, AK-84730, AM802892, KB-44359, 6-(Methoxycarbonyl)pyridine-3-boronic acid,, METHYL 5-BORONOPYRIDINE-2-CARBOXYLATE, X1535, A-4523, 2-(METHOXYCARBONYL)PYRIDINE-5-BORONIC ACID
• IUPAC Name: (6-methoxycarbonylpyridin-3-yl)boronic acid
• InChI Key: OJRWQJNSMWIFMD-UHFFFAOYSA-N
• Boiling Point: 397.7ºC at 760 mmHg
• Flash Point: 194.3ºC
• Density: 1.33 g/cm³
• Exact Mass: 181.05500
• H-Bond Acceptor: 5
• H-Bond Donor: 2

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is (6-methoxycarbonylpyridin-3-yl)boronic acid.

What is the molecular formula of the compound?

The molecular formula of the compound is C7H8BNO4.

What is the molecular weight of the compound?

The molecular weight of the compound is 180.96 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C7H8BNO4/c1-13-7(10)6-3-2-5(4-9-6)8(11)12/h2-4,11-12H,1H3.

What is the InChIKey of the compound?

The InChIKey of the compound is OJRWQJNSMWIFMD-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is B(C1=CN=C(C=C1)C(=O)OC)(O)O.

What is the CAS number of the compound?

The CAS number of the compound is 1072945-86-8.

What is the EC number of the compound according to the European Chemicals Agency (ECHA)?

The EC number of the compound is 800-631-9.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count of the compound is 2.

Is the compound canonicalized?

Yes, the compound is canonicalized.