2-(3-methylphenyl)pyrimidine-5-carbaldehyde

2-(3-methylphenyl)pyrimidine-5-carbaldehyde

CAS: 915921-67-4

Formula: C12H10N2O

SMILES: CC1=CC=CC(=C1)C1=NC=C(C=O)C=N1

IUPAC: 2-(3-methylphenyl)pyrimidine-5-carbaldehyde

InChI: InChI=1S/C12H10N2O/c1-9-3-2-4-11(5-9)12-13-6-10(8-15)7-14-12/h2-8H,1H3

Composition: C (72.71%), H (5.09%), N (14.13%), O (8.07%)

Molar Mass: 198.225

Atom Count: 25

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	198.07931295
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	CMYMYMDKEWWXKA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.76
Topological Polar Surface Area	42.85
Polarizability	22.49
Ring Count	2
Rotatable Bond Count	2

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