5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

CAS: 1036027-54-9

Formula: C8H5F3N2

SMILES: FC(F)(F)C1=CN=C2NC=CC2=C1

IUPAC: 5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

InChI: InChI=1S/C8H5F3N2/c9-8(10,11)6-3-5-1-2-12-7(5)13-4-6/h1-4H,(H,12,13)

Composition: C (51.62%), H (2.71%), F (30.62%), N (15.05%)

Molar Mass: 186.137

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	186.040482658
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	KHAGHXUTEFDDOD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.91
Topological Polar Surface Area	28.68
Polarizability	15.13
Ring Count	2
Rotatable Bond Count	1

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