1H-Pyrrolo[2,3-b]pyridine-3-acetonitrile - CAS 4414-87-3
Catalog: |
BB025534 |
Product Name: |
1H-Pyrrolo[2,3-b]pyridine-3-acetonitrile |
CAS: |
4414-87-3 |
Synonyms: |
2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile; 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile |
IUPAC Name: | 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile |
Description: | 1H-Pyrrolo[2,3-b]pyridine-3-acetonitrile (CAS# 4414-87-3) is a useful research chemical. |
Molecular Weight: | 157.17 |
Molecular Formula: | C9H7N3 |
Canonical SMILES: | C1=CC2=C(NC=C2CC#N)N=C1 |
InChI: | InChI=1S/C9H7N3/c10-4-3-7-6-12-9-8(7)2-1-5-11-9/h1-2,5-6H,3H2,(H,11,12) |
InChI Key: | KSBVCBLNHLSKFN-UHFFFAOYSA-N |
Density: | 1.295 g/cm3 |
LogP: | 1.62898 |
Publication Number | Title | Priority Date |
WO-2018213422-A1 | Compounds and uses thereof | 20170517 |
TW-201738244-A | FXR regulator and its use method | 20160219 |
WO-2017143134-A1 | Fxr modulators and methods of their use | 20160219 |
US-10421759-B2 | Fused bicyclic compounds for the treatment of disease | 20150326 |
US-2018118752-A1 | Fused bicyclic compounds for the treatment of disease | 20150326 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.063997236 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.063997236 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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