4-Chloro-2-methoxypyridine-3-carbaldehyde - CAS 1008451-58-8
Catalog: |
BB070205 |
Product Name: |
4-Chloro-2-methoxypyridine-3-carbaldehyde |
CAS: |
1008451-58-8 |
Synonyms: |
4-Chloro-2-methoxy-3-pyridinecarboxaldehyde; 4-Chloro-2-methoxynicotinaldehyde |
IUPAC Name: | 4-chloro-2-methoxypyridine-3-carbaldehyde |
Description: | 4-Chloro-2-methoxypyridine-3-carbaldehyde is a reactant used in the preparation of insulin-like growth factor 1 receptor (IGF-1R) inhibitor GTx-134. |
Molecular Weight: | 171.58 |
Molecular Formula: | C7H6ClNO2 |
Canonical SMILES: | COC1=NC=CC(=C1C=O)Cl |
InChI: | InChI=1S/C7H6ClNO2/c1-11-7-5(4-10)6(8)2-3-9-7/h2-4H,1H3 |
InChI Key: | FURZPPOFSODEOQ-UHFFFAOYSA-N |
References: | Liu, Y., Gregor, V. J. Heterocyclic Chem., 53, 1430 (2016). |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.0087061 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.0087061 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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