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338397-60-7 | 2-hydroxy-6-[1-(pyridin-3-yloxy)ethyl]pyridine-3-carbonitrile
CAS No: 338397-60-7 Catalog No: AG00IRLB MDL No:MFCD00173525
Product Description
Catalog Number:
AG00IRLB
Chemical Name:
2-hydroxy-6-[1-(pyridin-3-yloxy)ethyl]pyridine-3-carbonitrile
CAS Number:
338397-60-7
Molecular Formula:
C13H11N3O2
Molecular Weight:
241.2453
MDL Number:
MFCD00173525
IUPAC Name:
2-oxo-6-(1-pyridin-3-yloxyethyl)-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C13H11N3O2/c1-9(18-11-3-2-6-15-8-11)12-5-4-10(7-14)13(17)16-12/h2-6,8-9H,1H3,(H,16,17)
InChI Key:
OOBFYYJQXHFEEK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1O)C(Oc1cccnc1)C
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.25g/mol
Monoisotopic Mass:
241.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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