4-bromo-2,5-dimethyl-1H-pyrrole-3-carbonitrile

4-bromo-2,5-dimethyl-1H-pyrrole-3-carbonitrile

CAS: 562074-42-4

Formula: C7H7BrN2

SMILES: CC1=C(Br)C(C#N)=C(C)N1

IUPAC: 4-bromo-2,5-dimethyl-1H-pyrrole-3-carbonitrile

InChI: InChI=1S/C7H7BrN2/c1-4-6(3-9)7(8)5(2)10-4/h10H,1-2H3

Composition: C (42.24%), H (3.54%), Br (40.14%), N (14.07%)

Molar Mass: 199.051

Atom Count: 17

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	197.979261
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	YSAMLRMSYXSUHU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.46
Topological Polar Surface Area	39.58
Polarizability	16.27
Ring Count	1
Rotatable Bond Count	0

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