5-Fluoro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile - CAS 1015610-15-7
Catalog: |
BB000544 |
Product Name: |
5-Fluoro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile |
CAS: |
1015610-15-7 |
Synonyms: |
5-fluoro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile |
IUPAC Name: | 5-fluoro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile |
Description: | 5-Fluoro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile (CAS# 1015610-15-7) is a useful research chemical. |
Molecular Weight: | 161.14 |
Molecular Formula: | C8H4FN3 |
Canonical SMILES: | C1=CNC2=NC=C(C(=C21)C#N)F |
InChI: | InChI=1S/C8H4FN3/c9-7-4-12-8-5(1-2-11-8)6(7)3-10/h1-2,4H,(H,11,12) |
InChI Key: | OUAZJINPTDHOAR-UHFFFAOYSA-N |
Purity: | 95 % |
Appearance: | Solid |
LogP: | 1.57368 |
Publication Number | Title | Priority Date |
EP-2501236-B1 | N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer | 20091118 |
US-2011152258-A1 | Compounds and Methods for Kinase Modulation, and Indications Therefor | 20091118 |
US-2014288070-A1 | Compounds and methods for kinase modulation, and indications therefor | 20091118 |
US-8673928-B2 | Compounds and methods for kinase modulation, and indications therefor | 20091118 |
US-9617267-B2 | Compounds and methods for kinase modulation, and indications therefor | 20091118 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.0389253 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.0389253 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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