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1255099-01-4 | 1H-Pyrrolo[2,3-b]pyridin-4-amine, 3-(trifluoromethyl)-
CAS No: 1255099-01-4 Catalog No: AG000NRL MDL No:MFCD17926469
Product Description
Catalog Number:
AG000NRL
Chemical Name:
1H-Pyrrolo[2,3-b]pyridin-4-amine, 3-(trifluoromethyl)-
CAS Number:
1255099-01-4
Molecular Formula:
C8H6F3N3
Molecular Weight:
201.1485
MDL Number:
MFCD17926469
IUPAC Name:
3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
InChI:
InChI=1S/C8H6F3N3/c9-8(10,11)4-3-14-7-6(4)5(12)1-2-13-7/h1-3H,(H3,12,13,14)
InChI Key:
QAOSKLQQKZHYHD-UHFFFAOYSA-N
SMILES:
Nc1ccnc2c1c(c[nH]2)C(F)(F)F
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.152g/mol
Monoisotopic Mass:
201.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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