3-{5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl}-2,4-difluoroaniline

3-{5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl}-2,4-difluoroaniline

CAS: 1312941-98-2

Formula: C14H8BrF2N3O

SMILES: NC1=C(F)C(C(=O)C2=CNC3=NC=C(Br)C=C23)=C(F)C=C1

IUPAC: 3-{5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl}-2,4-difluoroaniline

InChI: InChI=1S/C14H8BrF2N3O/c15-6-3-7-8(5-20-14(7)19-4-6)13(21)11-9(16)1-2-10(18)12(11)17/h1-5H,18H2,(H,19,20)

Composition: C (47.75%), H (2.29%), Br (22.69%), F (10.79%), N (11.93%), O (4.54%)

Molar Mass: 352.139

Atom Count: 29

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	350.981881
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	BQQFXHJUISSMEC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.27
Topological Polar Surface Area	71.77
Polarizability	29.09
Ring Count	3
Rotatable Bond Count	2

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