methyl 5-bromo-1H-pyrrolo[3,2-b]pyridine-2-carboxylate - CAS 2090220-67-8
Catalog: |
BB016396 |
Product Name: |
methyl 5-bromo-1H-pyrrolo[3,2-b]pyridine-2-carboxylate |
CAS: |
2090220-67-8 |
Synonyms: |
5-bromo-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid methyl ester; methyl 5-bromo-1H-pyrrolo[3,2-b]pyridine-2-carboxylate |
IUPAC Name: | methyl 5-bromo-1H-pyrrolo[3,2-b]pyridine-2-carboxylate |
Description: | methyl 5-bromo-1H-pyrrolo[3,2-b]pyridine-2-carboxylate (CAS# 2090220-67-8 ) is a useful research chemical. |
Molecular Weight: | 255.071 |
Molecular Formula: | C9H7BrN2O2 |
Canonical SMILES: | COC(=O)C1=CC2=C(N1)C=CC(=N2)Br |
InChI: | InChI=1S/C9H7BrN2O2/c1-14-9(13)7-4-6-5(11-7)2-3-8(10)12-6/h2-4,11H,1H3 |
InChI Key: | VTXMSXCHSDIIIU-UHFFFAOYSA-N |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.96909 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.96909 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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