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Home > Aldehydes > 189089-91-6
189089-91-6 | 1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde, 1-(phenylsulfonyl)-
CAS No: 189089-91-6 Catalog No: AG002HUK MDL No:MFCD15529564
Product Description
Catalog Number:
AG002HUK
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde, 1-(phenylsulfonyl)-
CAS Number:
189089-91-6
Molecular Formula:
C14H10N2O3S
Molecular Weight:
286.3058
MDL Number:
MFCD15529564
IUPAC Name:
1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde
InChI:
InChI=1S/C14H10N2O3S/c17-10-12-9-11-5-4-8-15-14(11)16(12)20(18,19)13-6-2-1-3-7-13/h1-10H
InChI Key:
GKAPUAJWUZIFEM-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(n1S(=O)(=O)c1ccccc1)nccc2
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.041g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.305g/mol
Monoisotopic Mass:
286.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation. | Nature chemical biology 20150301 |
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