CAS 1114563-25-5 6-bromo-N-cyclopropylpyridine-3-carboxamide (HCID 65809172)

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Basic information

CAS: 1114563-25-5
Standard SMILES: O=C(NC1CC1)c1ccc(Br)nc1
InChIKey: KFWPVRXYVGDEOR-UHFFFAOYSA-N
Molecular formula: C9H9BrN2O
Average molar mass: 241.08 g/mol

Names & identifiers

Preferred name: 6-bromo-N-cyclopropylpyridine-3-carboxamide
IUPAC: 6-bromo-N-cyclopropylpyridine-3-carboxamide
English name: 6-bromo-N-cyclopropylnicotinamide
Molecular formula: C9H9BrN2O
Molecular weight: 241.08

Names & synonyms

6-BROMO-N-CYCLOPROPYLPYRIDINE-3-CARBOXAMIDE1114563-25-5RefChem:541206100-811-06-BROMO-N-CYCLOPROPYLNICOTINAMIDE6-bromo-N-cyclopropyl-3-pyridinecarboxamideSCHEMBL960202KFWPVRXYVGDEOR-UHFFFAOYSA-NPUB56325MFCD14702800AKOS015149659MB14282

Show more names

3-Pyridinecarboxamide, 6-bromo-N-cyclopropyl-

BS-339366-bromo-N-cyclopropyl-pyridine-3-carboxamideCS-0210434EN300-344136G22375A1-07792Z1269146121

Database identifiers

CAS: 1114563-25-5
PubChem CID: 65809172
EC Number: 100-811-0

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 42 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 206

Physicochemical properties

Boiling point: 409.2 · 409.2±30.0 °C(Predicted)
Density: 1.62 · 1.62±0.1 g/cm3(Predicted)
pka: 13.55 · 13.55±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

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.