4-bromo-5-methylpyrimidine

4-bromo-5-methylpyrimidine

CAS: 1257851-33-4

Formula: C5H5BrN2

SMILES: CC1=CN=CN=C1Br

IUPAC: 4-bromo-5-methylpyrimidine

InChI: InChI=1S/C5H5BrN2/c1-4-2-7-3-8-5(4)6/h2-3H,1H3

Composition: C (34.71%), H (2.91%), Br (46.18%), N (16.19%)

Molar Mass: 173.013

Atom Count: 13

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	171.963611
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	LBDNAUFGRFTNFC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.23
Topological Polar Surface Area	25.78
Polarizability	13.28
Ring Count	1
Rotatable Bond Count	0

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