1H-Pyrrolo[2,3-b]pyridin-1-amine

HCID 5223950

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Basic information

CAS: 161264-46-6
Standard SMILES: Nn1ccc2cccnc21
InChIKey: YKDJLEIIKHBILS-UHFFFAOYSA-N
Molecular formula: C7H7N3
Average molar mass: 133.15 g/mol
Monoisotopic mass: 133.06399722

Names & identifiers

Preferred name: 1H-Pyrrolo[2,3-b]pyridin-1-amine
IUPAC: pyrrolo[2,3-b]pyridin-1-amine
English name: 1H-Pyrrolo[2,3-b]pyridin-1-amine(9CI)
Molecular formula: C7H7N3
Molecular weight: 133.15

Names & synonyms

1H-Pyrrolo[2,3-b]pyridin-1-amine161264-46-6pyrrolo[2,3-b]pyridin-1-aminepyrrolo[2,3-b]pyridin-1-ylamine1H-Pyrrolo[2,3-b]pyridin-1-amine(9CI)SCHEMBL3223817DTXSID90411282YKDJLEIIKHBILS-UHFFFAOYSA-Npyrrolo[2,3-b]pyridine-1-ylamineMFCD12406343N-amino-1h-pyrrolo[2,3-b]pyridineAKOS016015911

Show more names

DA-29336EN300-7643906F2197-0339

Database identifiers

CAS: 161264-46-6
PubChem CID: 5223950
DTXSID: DTXSID90411282
EC Number: 884-526-3
Nikkaji: J2.021.578J

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 43.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 126

Physicochemical properties

Boiling point: 317.4 · 317.4±34.0 °C(Predicted)
Density: 1.32 · 1.32±0.1 g/cm3(Predicted)
pka: 5.87 · 5.87±0.30(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

Uses1H-Pyrrolo[2,3-b]pyridin-1-amine is an intermediate in the preparation of PGDS inhibitors which are used for the treatment of allergic and inflammatory diseases.