Basic information
- CAS
21801-80-9- Standard SMILES
Cc1cccn2c(C(=O)O)cnc12- InChIKey
ZPEXGVUYMVTGOK-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Names & identifiers
- Preferred name
- Imidazo(1,2-a)pyridine-3-carboxylic acid, 7-methyl-
- IUPAC
- 8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
- English name
- 7-Methylimidazo(1,2-a)pyridine-3-carboxylicacid
- Molecular formula
- C9H8N2O2
- Molecular weight
- 176.17
Names & synonyms
BRN 1568719Imidazo(1,2-a)pyridine-3-carboxylic acid, 7-methyl-RefChem:34856821801-80-98-methylimidazo[1,2-a]pyridine-3-carboxylic acid900018-76-0MFCD06496225SCHEMBL2498109CHEMBL5306390DTXSID30944408AKOS006292847SY373736
Show more names
7-Methylimidazo(1,2-a)pyridine-3-carboxylicacidIMidazo[1,2-a]pyridine-3-carboxylic acid, 7-Methyl-
CS-0083398EN300-738196W132668-methylimidazo[1,2-a]pyridine-3-carboxylicacid8X-0866
Database identifiers
- CAS
21801-80-9- PubChem CID
- 89055
- DTXSID
DTXSID30944408- ChEMBL
CHEMBL5306390
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -0.59 · -0.59±0.41(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C9H8N2O2/c1-6-2-3-11-7(9(12)13)5-10-8(11)4-6/h2-5H,1H3,(H,12,13)
- InChIKey
- BXALETSPBUTZAS-UHFFFAOYSA-N
- SMILES
- C12=NC=C(C(O)=O)N1C=CC(C)=C2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Toxicity
- 50 · mouse,LD50,intraperitoneal,600mg/kg (600mg/kg),BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY),Journal of Medicinal Chemistry. Vol. 12, Pg. 122, 1969.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- mouse,LD50,intraperitoneal,600mg/kg (600mg/kg),BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY),Journal of Medicinal Chemistry. Vol. 12, Pg. 122, 1969.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers22 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
苏州亚衍医药科技有限公司17715136450 · [email protected]
杭州噻伏新材料科技有限公司0571-86113725 15372021306 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
南京药石科技股份有限公司4000255188 13327728092 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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