4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
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Basic information
- CAS
920966-13-8- Standard SMILES
NC(=O)c1cnc2[nH]ccc2c1Cl- InChIKey
VQUZOZOEDPTJRR-UHFFFAOYSA-N- Molecular formula
- C8H6ClN3O
- Average molar mass
- 195.6 g/mol
- Monoisotopic mass
- 195.01993949
Names & identifiers
- Preferred name
- 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
- IUPAC
- 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
- English name
- 1H-Pyrrolo[2,3-b]pyridine-5-carboxaMide, 4-chloro-
- Molecular formula
- C8H6ClN3O
- Molecular weight
- 195.61
Names & synonyms
920966-13-84-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide1H-Pyrrolo[2,3-b]pyridine-5-carboxamide, 4-chloro-MFCD15529238CHEMBL5220598PEFT-003SCHEMBL1154763SCHEMBL29713778DTXSID90736048VQUZOZOEDPTJRR-UHFFFAOYSA-NBDBM50607559LT0076
Show more names
Peficitinib impurity 14-chloro-1H-pyridinebenzo[2,3-b]pyridine-5-carboxamide4-Chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid amide
AKOS028110397SB17729BS-24790SY251288F15714F5296054-chloro-lH-pyrrolo [2,3-B] pyridine-5-carboxamide1H-?Pyrrolo[2,?3-?b]?pyridine-?5-?carboxamide, 4-?chloro-
Database identifiers
- CAS
920966-13-8- PubChem CID
- 66924177
- DTXSID
DTXSID90736048- ChEMBL
CHEMBL5220598- Nikkaji
- J2.782.060C
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Density
- 1.555 · 1.555±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 12.29 · 12.29±0.40(Predicted)
- InChI
- InChI=1S/C8H6ClN3O/c9-6-4-1-2-11-8(4)12-3-5(6)7(10)13/h1-3H,(H2,10,13)(H,11,12)
- InChIKey
- VQUZOZOEDPTJRR-UHFFFAOYSA-N
- SMILES
- C12NC=CC1=C(Cl)C(C(N)=O)=CN=2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
3 records
Compound notes
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