3-methyl-1-(pyridin-3-yl)butan-2-one - CAS 53872-97-2
Catalog: |
BB028381 |
Product Name: |
3-methyl-1-(pyridin-3-yl)butan-2-one |
CAS: |
53872-97-2 |
Synonyms: |
3-methyl-1-(3-pyridinyl)-2-butanone; 3-methyl-1-pyridin-3-ylbutan-2-one |
IUPAC Name: | 3-methyl-1-pyridin-3-ylbutan-2-one |
Description: | 3-methyl-1-(pyridin-3-yl)butan-2-one (CAS# 53872-97-2) is a useful research chemical. |
Molecular Weight: | 163.22 |
Molecular Formula: | C10H13NO |
Canonical SMILES: | CC(C)C(=O)CC1=CN=CC=C1 |
InChI: | InChI=1S/C10H13NO/c1-8(2)10(12)6-9-4-3-5-11-7-9/h3-5,7-8H,6H2,1-2H3 |
InChI Key: | CFWGQBCVKJHGSF-UHFFFAOYSA-N |
LogP: | 1.84920 |
Publication Number | Title | Priority Date |
US-2021299126-A1 | Inhibitors of indoleamine 2,3-dioxygenase and methods of their use | 20180723 |
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Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.099714038 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 30 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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Pyridines
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