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Home > Pyridines > 338411-79-3
338411-79-3 | 2-{2-[(1E)-(hydroxyimino)methyl]-1H-pyrrol-1-yl}-4-methoxypyridine-3-carbonitrile
CAS No: 338411-79-3 Catalog No: AG00ISN4 MDL No:MFCD00975455
Product Description
Catalog Number:
AG00ISN4
Chemical Name:
2-{2-[(1E)-(hydroxyimino)methyl]-1H-pyrrol-1-yl}-4-methoxypyridine-3-carbonitrile
CAS Number:
338411-79-3
Molecular Formula:
C12H10N4O2
Molecular Weight:
242.2334
MDL Number:
MFCD00975455
IUPAC Name:
2-[2-(hydroxyiminomethyl)pyrrol-1-yl]-4-methoxypyridine-3-carbonitrile
InChI:
InChI=1S/C12H10N4O2/c1-18-11-4-5-14-12(10(11)7-13)16-6-2-3-9(16)8-15-17/h2-6,8,17H,1H3
InChI Key:
OSKRZJCPXXGLKR-UHFFFAOYSA-N
SMILES:
O/N=C/c1cccn1c1nccc(c1C#N)OC
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.238g/mol
Monoisotopic Mass:
242.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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