tert-Butyl ((5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)methyl)carbamate - CAS 1228666-42-9
Catalog: |
BB005575 |
Product Name: |
tert-Butyl ((5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)methyl)carbamate |
CAS: |
1228666-42-9 |
Synonyms: |
tert-butyl N-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]carbamate |
IUPAC Name: | tert-butyl N-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]carbamate |
Description: | tert-Butyl ((5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)methyl)carbamate (CAS# 1228666-42-9) is a useful research chemical. |
Molecular Weight: | 265.28 |
Molecular Formula: | C13H16FN3O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC1=C2C=CNC2=NC=C1F |
InChI: | InChI=1S/C13H16FN3O2/c1-13(2,3)19-12(18)17-6-9-8-4-5-15-11(8)16-7-10(9)14/h4-5,7H,6H2,1-3H3,(H,15,16)(H,17,18) |
InChI Key: | ILNJJLYIJFAGBI-UHFFFAOYSA-N |
MDL: | MFCD16628263 |
LogP: | 3.11760 |
Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.12265492 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.12265492 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 67 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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