65749-85-1
4-CHLORO-2-METHYL-5H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE
Name4-CHLORO-2-METHYL-5H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE
1Identification
【Name】
4-CHLORO-2-METHYL-5H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE
【CAS】
【MDL】
MFCD17013044
【English Synonyms】
【Formula】
C8 H5 Cl N4
【MolWeight】
192.609
【Inchi】
InChI=1S/C8H5ClN4/c1-4-12-6-5(2-10)3-11-7(6)8(9)13-4/h3,11H,1H3
【InChIKey】
InChIKey=SJOSGQRRDFDTKP-UHFFFAOYSA-N
【SMILES】
Cc1nc2c(c[nH]c2c(n1)Cl)C#N
【MOL File】
4-CHLORO-2-METHYL-5H….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-CHLORO-2-METHYL-5H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE.cml