2,6-Pyridinedicarboxylic acid, 1-oxide

HCID 85179
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Basic information

CAS
15905-16-5
Standard SMILES
O=C(O)c1cccc(C(=O)O)[n+]1[O-]
InChIKey
JWCYHGVYVDMHQT-UHFFFAOYSA-N
Molecular formula
C7H5NO5
Average molar mass
183.12 g/mol
Monoisotopic mass
183.01677226

Names & identifiers

Preferred name
2,6-Pyridinedicarboxylic acid, 1-oxide
IUPAC
1-oxidopyridin-1-ium-2,6-dicarboxylic acid
English name
Dipicolinic acid N-oxide
Molecular formula
C7H5NO5
Molecular weight
183.12

Names & synonyms

15905-16-5Pyridine-2,6-dicarboxylic acid 1-oxide2,6-Pyridinedicarboxylic acid, 1-oxideDTXSID30166562RefChem:1060357DTXCID1089053240-043-41-oxidopyridin-1-ium-2,6-dicarboxylic acid2,6-Dicarboxypyridine 1-oxidePyridine-2,6-dicarboxylic acid N-oxideCHEMBL1160390Dipicolinic acid N-oxide
Show more names
Lansoprazole Impurity 892,6-Pyridinedicarboxylic acid N-oxide
2,6-pyridinedicarboxylic acid 1-oxide2,6-DICARBOXYPYRIDIN-1-IUM-1-OLATESCHEMBL7703178JWCYHGVYVDMHQT-UHFFFAOYSA-NNSC78435QAA90516BDBM50403311NSC-78435

Database identifiers

CAS
15905-16-5
PubChem CID
85179
DTXSID
DTXSID30166562
ChEMBL
CHEMBL1160390
EC Number
240-043-4
Nikkaji
J219.897E

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
100 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
13

Physicochemical properties

Melting point
155 · 155-157 °C
Boiling point
644.8 · 644.8±40.0 °C(Predicted)
Density
1.6 · 1.60±0.1 g/cm3(Predicted)
pka
0.97 · 0.97±0.50(Predicted)

Chemistry & industry

Suppliers16 total

武汉布林科技有限公司3456065315 13260619011 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
杭州宇昊化工科技有限公司0571-82693216 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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