Methyl 4-Chloro-5-azaindole-2-carboxylate - CAS 688357-19-9
Catalog: |
BB033639 |
Product Name: |
Methyl 4-Chloro-5-azaindole-2-carboxylate |
CAS: |
688357-19-9 |
Synonyms: |
4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid methyl ester; methyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate |
IUPAC Name: | methyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate |
Description: | Methyl 4-Chloro-5-azaindole-2-carboxylate (CAS# 688357-19-9) is a useful research chemical. |
Molecular Weight: | 210.62 |
Molecular Formula: | C9H7ClN2O2 |
Canonical SMILES: | COC(=O)C1=CC2=C(N1)C=CN=C2Cl |
InChI: | InChI=1S/C9H7ClN2O2/c1-14-9(13)7-4-5-6(12-7)2-3-11-8(5)10/h2-4,12H,1H3 |
InChI Key: | NFEOJQQNFBVATP-UHFFFAOYSA-N |
Boiling Point: | 400.229 °C at 760 mmHg |
Density: | 1.453 g/cm3 |
MDL: | MFCD09870065 |
LogP: | 2.00290 |
Publication Number | Title | Priority Date |
TW-201713617-A | Modulators of cystic fibrosis transmembrane conductance regulator | 20151006 |
JP-2017530167-A | Modulator of cystic fibrosis transmembrane conductance regulator | 20141006 |
US-10258624-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | 20141006 |
US-2016095858-A1 | Modulators of Cystic Fibrosis Transmembrane Conductance Regulator | 20141006 |
US-2017196862-A2 | Modulators of cystic fibrosis transmembrane conductance regulator | 20141006 |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.0196052 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.0196052 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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