Basic information
- CAS
1115962-72-5- Standard SMILES
N#Cc1ncc(C(=O)O)cn1- InChIKey
GZCITSSHGGYVFC-UHFFFAOYSA-N- Molecular formula
- C6H3N3O2
- Average molar mass
- 149.11 g/mol
- Monoisotopic mass
- 149.02252635
Names & identifiers
- Preferred name
- 2-Cyanopyrimidine-5-carboxylic acid
- IUPAC
- 2-cyanopyrimidine-5-carboxylic acid
- English name
- 2-cyanopyriMidine-5-carboxylic acid
- Molecular formula
- C6H3N3O2
- Molecular weight
- 149.11
Names & synonyms
2-CYANOPYRIMIDINE-5-CARBOXYLIC ACID1115962-72-5MFCD127558875-Pyrimidinecarboxylic acid, 2-cyano-SCHEMBL185724GZCITSSHGGYVFC-UHFFFAOYSA-NAKOS022181889PB240312-CYANOPYRIMIDINE-5-CARBOXYLICACIDAS-34364SY026718DB-122131
Show more names
CS-0051916F438099
Database identifiers
- CAS
1115962-72-5- PubChem CID
- 66616870
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Boiling point
- 438.6 · 438.6±37.0 °C(Predicted)
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 2.08 · 2.08±0.10(Predicted)
- Appearance
- Yellow to khaki Solid
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
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
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Chemistry & industry
Suppliers35 total
宁波振岳医药科技有限公司19817745290 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
重庆旭晗科技有限公司13668063927; 13668063927 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
济宁横渠生物技术有限公司18118824509 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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