2-Chloro-5-methoxypyridine-3-boronic acid

HCID 46738816CAS 1072946-26-9
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cnc(Cl)c(B(O)O)c1
InChIKey
ZTPMWCGARULXJT-UHFFFAOYSA-N
Molecular formula
C6H7BClNO3
Average molar mass
187.39 g/mol
Monoisotopic mass
187.02075116

Names & identifiers

Preferred name
2-Chloro-5-methoxypyridine-3-boronic acid
IUPAC
(2-chloro-5-methoxy-3-pyridinyl)boronic acid
English name
2-Chloro-5-Methoxypyridine-3-boronic acid
Molecular formula
C6H7BClNO3
Molecular weight
187.38868

Names & synonyms

1072946-26-92-Chloro-5-methoxypyridine-3-boronic acid(2-Chloro-5-methoxypyridin-3-yl)boronic acidMFCD106996322-chloro-5-methoxypyridin-3-ylboronic acidSCHEMBL114930SCHEMBL29957741DTXSID00674467ZTPMWCGARULXJT-UHFFFAOYSA-NAC2844AKOS006302754AB62592
Show more names
BS-25533SY035662(2-chloro-5-methoxy-3-pyridyl)boronic acid(2-Chloro-5-methoxypyridin-3-yl)boronicacidCS-0174066

Database identifiers

CAS
1072946-26-9
PubChem CID
46738816
DTXSID
DTXSID00674467

Properties

Computed structural properties

Topological polar surface area
62.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Boiling point
393.7 · 393.7±52.0 °C(Predicted)
Density
1.4 · 1.40±0.1 g/cm3(Predicted)
pka
6.16 · 6.16±0.58(Predicted)

Chemistry & industry

Suppliers1 total

COMBI-BLOCKS[email protected]

Related reactions

5 records
New reaction record

Linked notes

Loading…