124476-84-2
4,6-DIAMINO-1-(4-CHLORO-PHENYL)-2-OXO-2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDINE-5-CARBONITRILE
Name
4,6-DIAMINO-1-(4-CHLORO-PHENYL)-2-OXO-2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDINE-5-CARBONITRILE
Formula
C14 H10 Cl N5 O
MolWeight
299.72
1Identification
【Name】
4,6-DIAMINO-1-(4-CHLORO-PHENYL)-2-OXO-2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDINE-5-CARBONITRILE
【CAS】
【MDL】
MFCD00496419
【English Synonyms】
【Formula】
C14 H10 Cl N5 O
【MolWeight】
299.72
【Inchi】
InChI=1S/C14H10ClN5O/c15-7-1-3-8(4-2-7)20-11(21)5-9-12(17)10(6-16)13(18)19-14(9)20/h1-4H,5H2,(H4,17,18,19)
【InChIKey】
InChIKey=ZQQWVUWHBYAWPO-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1N2c3c(c(c(c(n3)N)C#N)N)CC2=O)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,6-DIAMINO-1-(4-CHLORO-PHENYL)-2-OXO-2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDINE-5-CARBONITRILE.cml
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