2-methylpyrimidine-5-carbaldehyde

2-methylpyrimidine-5-carbaldehyde

CAS: 90905-33-2

Formula: C6H6N2O

SMILES: CC1=NC=C(C=O)C=N1

IUPAC: 2-methylpyrimidine-5-carbaldehyde

InChI: InChI=1S/C6H6N2O/c1-5-7-2-6(4-9)3-8-5/h2-4H,1H3

Composition: C (59.01%), H (4.95%), N (22.94%), O (13.10%)

Molar Mass: 122.127

Atom Count: 15

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	122.048012821
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	IJBONYUNKRDIFC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.93
Topological Polar Surface Area	42.85
Polarizability	12.22
Ring Count	1
Rotatable Bond Count	1

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