2-amino-5H,6H,7H-cyclopenta[b]pyridine-3-carboxylic acid
Basic information
- CAS
115271-79-9- Standard SMILES
Nc1nc2c(cc1C(=O)O)CCC2- InChIKey
PMRJJSHCLCZUSH-UHFFFAOYSA-N- Molecular formula
- C9H10N2O2
- Average molar mass
- 178.19 g/mol
- Monoisotopic mass
- 178.07422757
Names & identifiers
- Preferred name
- 2-amino-5H,6H,7H-cyclopenta[b]pyridine-3-carboxylic acid
- IUPAC
- 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
Names & synonyms
115271-79-92-amino-5H,6H,7H-cyclopenta[b]pyridine-3-carboxylic acid2-amino-5H,6H,7H-cyclopenta(b)pyridine-3-carboxylic acidRefChem:464677866-760-82-Amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acidSCHEMBL1680507PMRJJSHCLCZUSH-UHFFFAOYSA-NQEA27179AKOS008152792DB-084442CS-0263036
Show more names
EN300-84860G42756F6743312-amino-5H,6H,7H-cyclopenta[b]pyridine-3-carboxylicacid2-Amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3carboxylic acid2-Amino-67-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid2-Amino-6.7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic Acid
Database identifiers
- CAS
115271-79-9- PubChem CID
- 54595024
- EC Number
- 866-760-8
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
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 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
3 records
Compound notes
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