AG005ICQ

757978-11-3 | 3-IODO-1H-PYRROLO[2,3-B]PYRIDINE-5-CARBONITRILE

AG005ICQ

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CAS Number	757978-11-3
Catalog Number	AG005ICQ(AGN-PC-04G0G9)
Chemical Name	3-IODO-1H-PYRROLO[2,3-B]PYRIDINE-5-CARBONITRILE
IUPAC Name	3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
InChI	InChI=1S/C8H4IN3/c9-7-4-12-8-6(7)1-5(2-10)3-11-8/h1,3-4H,(H,11,12)
InChI Key	YLXANOLQQIUJNO-UHFFFAOYSA-N
MDL Number	MFCD08457791
Molecular Formula	C8H4IN3
Molecular Weight	269.0419
SMILES	N#CC1=CN=C(NC=C2I)C2=C1
Synonyms	3-Iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile, 757978-11-3, 1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile,3-iodo-, PubChem16567, AC1Q4PA8, ACMC-209p03, SCHEMBL1043610, CTK5E2016, DTXSID30640110, YLXANOLQQIUJNO-UHFFFAOYSA-N, ZINC8700515, ANW-36673, MFCD08457791, AKOS015853797, FCH1324157, RTR-024335, SB14496, AK325514, CJ-13492, TR-024335, CS-0002368, FT-0678320, V7632, A-6578, A838513, I02-4829, 3-iodanyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile, 3-Iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile, AldrichCPR, C8H4IN3, 1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 3-iodo-, anti-N-Boc-7-bromo-2-azabicyclo[2.2.1]heptane,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	268.945g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	269.045g/mol
Monoisotopic Mass	268.945g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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