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Home > Pyridines > 1026857-25-9
1026857-25-9 | 6-Pyridin-4-ylpyrimidin-4-ol
CAS No: 1026857-25-9 Catalog No: AG01FLYE MDL No:MFCD16630185
Product Description
Catalog Number:
AG01FLYE
Chemical Name:
6-Pyridin-4-ylpyrimidin-4-ol
CAS Number:
1026857-25-9
Molecular Formula:
C9H7N3O
Molecular Weight:
173.1714
MDL Number:
MFCD16630185
IUPAC Name:
4-pyridin-4-yl-1H-pyrimidin-6-one
InChI:
InChI=1S/C9H7N3O/c13-9-5-8(11-6-12-9)7-1-3-10-4-2-7/h1-6H,(H,11,12,13)
InChI Key:
BOHUACKGQQGLRF-UHFFFAOYSA-N
SMILES:
Oc1ncnc(c1)c1ccncc1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.175g/mol
Monoisotopic Mass:
173.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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