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Home > Pyridines > 1239747-91-1
1239747-91-1 | 2-(pyridin-3-yl)-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-4-one
CAS No: 1239747-91-1 Catalog No: AG01A9S7 MDL No:MFCD14653754
Product Description
Catalog Number:
AG01A9S7
Chemical Name:
2-(pyridin-3-yl)-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-4-one
CAS Number:
1239747-91-1
Molecular Formula:
C12H11N3O
Molecular Weight:
213.2352
MDL Number:
MFCD14653754
IUPAC Name:
2-pyridin-3-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
InChI:
InChI=1S/C12H11N3O/c16-12-9-4-1-5-10(9)14-11(15-12)8-3-2-6-13-7-8/h2-3,6-7H,1,4-5H2,(H,14,15,16)
InChI Key:
NKDKRVBYBUMYGT-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(nc2c1CCC2)c1cccnc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.24g/mol
Monoisotopic Mass:
213.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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