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Home > Fluorides > 1261365-58-5
1261365-58-5 | 1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 5-(trifluoromethyl)-
CAS No: 1261365-58-5 Catalog No: AG000RQR MDL No:MFCD18374142
Product Description
Catalog Number:
AG000RQR
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 5-(trifluoromethyl)-
CAS Number:
1261365-58-5
Molecular Formula:
C9H4F3N3
Molecular Weight:
211.1434
MDL Number:
MFCD18374142
IUPAC Name:
5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
InChI:
InChI=1S/C9H4F3N3/c10-9(11,12)7-4-15-8-5(1-2-14-8)6(7)3-13/h1-2,4H,(H,14,15)
InChI Key:
MIYMIGHPGAEBEN-UHFFFAOYSA-N
SMILES:
N#Cc1c(cnc2c1cc[nH]2)C(F)(F)F
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.147g/mol
Monoisotopic Mass:
211.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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