Home Aldehydes 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 4-methyl-

1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 4-methyl-

CAS No.:
4894-34-2
Catalog Number:
AG00DY56
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
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Product Description
Catalog Number:
AG00DY56
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 4-methyl-
CAS Number:
4894-34-2
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD11616739
IUPAC Name:
4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
InChI:
InChI=1S/C9H8N2O/c1-6-2-3-10-9-8(6)7(5-12)4-11-9/h2-5H,1H3,(H,10,11)
InChI Key:
QJEXQKGGKYDWCI-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(C)ccn2
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties