Basic information
- CAS
1378827-12-3- Standard SMILES
Cn1ccc2cnc(C(=O)O)nc21- InChIKey
OLOLNOQHRRHRGT-UHFFFAOYSA-N- Molecular formula
- C8H7N3O2
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.05382648
Names & identifiers
- Preferred name
- 7-Methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid
- IUPAC
- 7-methylpyrrolo[2,3-d]pyrimidine-2-carboxylic acid
- English name
- 7-Methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid
- Molecular formula
- C8H7N3O2
- Molecular weight
- 177.16
Names & synonyms
7-Methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid1378827-12-3MFCD172143857-methylpyrrolo[2,3-d]pyrimidine-2-carboxylic acidSB14085BS-50534CS-0056428P121577-Methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylicacidSY322049F5025837H-Pyrrolo[2,3-d]pyrimidine-2-carboxylic acid, 7-methyl-
Database identifiers
- CAS
1378827-12-3- PubChem CID
- 82375500
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 467.5 · 467.5±37.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Storage temp. -20°C
- pka
- 0.97 · 0.97±0.30(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Suppliers12 total
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉誉祥医药科技有限公司13971275651 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
南京药石科技股份有限公司4000255188 13327728092 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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