Basic information
- CAS
609-70-1- Standard SMILES
O=C(O)c1c[nH]ccc1=O- InChIKey
CHCUBGPSZDGABM-UHFFFAOYSA-N- Molecular formula
- C6H5NO3
- Average molar mass
- 139.11 g/mol
- Monoisotopic mass
- 139.02694302
Overview
structure in first source
Names & identifiers
- Preferred name
- 4-Hydroxynicotinic acid
- IUPAC
- 4-oxo-1H-pyridine-3-carboxylic acid
- English name
- 4-oxo-1,4-dihydro-3-pyridinecarboxylic acid
- Molecular formula
- C6H5NO3
- Molecular weight
- 139.11
Names & synonyms
4-Hydroxynicotinic acid609-70-14-Hydroxy-3-pyridinecarboxylic acid4H3P cpdRefChem:523855210-197-74-Hydroxypyridine-3-carboxylic acid4-oxo-1,4-dihydropyridine-3-carboxylic acid72676-96-1Odhpca4-oxo-1H-pyridine-3-carboxylic acidMFCD00040286
Show more names
4-oxo-1,4-dihydro-3-pyridinecarboxylic acid1,4-dihydro-4-oxopyridine-3-carboxylic acid3-Pyridinecarboxylic acid, 1,4-dihydro-4-oxo-
4-Hydroxy-nicotinic acid3-Pyridinecarboxylic acid, 4-hydroxy-EINECS 210-197-7Oprea1_654715HMS2405E22IDI1_010722CS-0356770AB00407914-09
Database identifiers
- CAS
609-70-1、72676-96-1- PubChem CID
- 69113
- DTXSID
DTXSID80976370- ChEMBL
CHEMBL1610346- EC Number
- 210-197-7
- Nikkaji
- J94.851I
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 239
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (84.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (84.4%)
Chemistry & industry
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
河北松辰医药科技有限公司0319-5801333-8008 15630992918 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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