4-Iodo-1H-pyrrolo[2,3-b]pyridine

HCID 21877415CAS 319474-34-5

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Basic information

Standard SMILES: Ic1ccnc2[nH]ccc12
InChIKey: PCHGYPNRADCIKG-UHFFFAOYSA-N
Molecular formula: C7H5IN2
Average molar mass: 244.03 g/mol
Monoisotopic mass: 243.94974616

Names & identifiers

Preferred name: 4-Iodo-1H-pyrrolo[2,3-b]pyridine
IUPAC: 4-iodo-1H-pyrrolo[2,3-b]pyridine
English name: 4-IODO-7-AZAINDOLE
Molecular formula: C7H5IN2
Molecular weight: 244.03

Names & synonyms

319474-34-54-Iodo-1H-pyrrolo[2,3-b]pyridineDTXSID406192714-Iodo-1H-pyrrolo(2,3-b)pyridineRefChem:293500DTXCID90570025863-713-34-Iodo-7-azaindoleMFCD082722341H-Pyrrolo[2,3-b]pyridine, 4-iodo-SCHEMBL306661SCHEMBL30991796

Show more names

294-Iodo-7-azaindole

PCHGYPNRADCIKG-UHFFFAOYSA-NAKOS015853688DS-0358SY029963DB-011363CS-0003993EN300-970474-Iodo-1H-pyrrolo[2,3-b]pyridine, AldrichCPR

Database identifiers

CAS: 319474-34-5
PubChem CID: 21877415
DTXSID: DTXSID40619271
EC Number: 863-713-3
Nikkaji: J2.740.291G

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 129

Physicochemical properties

Density: 2.082 · 2.082
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: solid
pka: 13.08 · 13.08±0.40(Predicted)
Appearance: Light brown to yellow Solid
InChI: InChI=1S/C7H5IN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)
InChIKey: PCHGYPNRADCIKG-UHFFFAOYSA-N
SMILES: C12NC=CC1=C(I)C=CN=2
CAS DataBase Reference: 319474 · 319474-34-5
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 261 · P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22-37/38-41
Safety Statements: 26 · 26-39
WGK Germany: 3 · 3
HazardClass: IRRITANT
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.