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Home > Pyridines > 1190313-22-4
1190313-22-4 | 1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 3-formyl-4-methyl-
CAS No: 1190313-22-4 Catalog No: AG000HK5 MDL No:
Product Description
Catalog Number:
AG000HK5
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 3-formyl-4-methyl-
CAS Number:
1190313-22-4
Molecular Formula:
C10H7N3O
Molecular Weight:
185.1821
IUPAC Name:
4-formyl-4-methylpyrrolo[2,3-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C10H7N3O/c1-10(6-14)2-3-12-9-8(10)7(4-11)5-13-9/h2-3,5-6H,1H3
InChI Key:
NEJWJOMSBLNISR-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(C)c(cn2)C#N
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.186g/mol
Monoisotopic Mass:
185.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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