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Home > Pyridines > 1174297-28-9
1174297-28-9 | 1H-Pyrrolo[2,3-b]pyridine, 4-ethynyl-
CAS No: 1174297-28-9 Catalog No: AG000EB4 MDL No:
Product Description
Catalog Number:
AG000EB4
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 4-ethynyl-
CAS Number:
1174297-28-9
Molecular Formula:
C9H6N2
Molecular Weight:
142.1573
IUPAC Name:
4-ethynyl-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C9H6N2/c1-2-7-3-5-10-9-8(7)4-6-11-9/h1,3-6H,(H,10,11)
InChI Key:
DHJZKZCLQAPHJR-UHFFFAOYSA-N
SMILES:
C#Cc1ccnc2c1cc[nH]2
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.161g/mol
Monoisotopic Mass:
142.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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