tert-Butyl 3-(hydroxymethyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate - CAS 1198103-73-9
Catalog: |
BB004650 |
Product Name: |
tert-Butyl 3-(hydroxymethyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate |
CAS: |
1198103-73-9 |
Synonyms: |
tert-butyl 3-(hydroxymethyl)-5-methylpyrrolo[2,3-b]pyridine-1-carboxylate |
IUPAC Name: | tert-butyl 3-(hydroxymethyl)-5-methylpyrrolo[2,3-b]pyridine-1-carboxylate |
Description: | tert-Butyl 3-(hydroxymethyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate (CAS# 1198103-73-9) is a useful research chemical. |
Molecular Weight: | 262.30 |
Molecular Formula: | C14H18N2O3 |
Canonical SMILES: | CC1=CN=C2C(=C1)C(=CN2C(=O)OC(C)(C)C)CO |
InChI: | InChI=1S/C14H18N2O3/c1-9-5-11-10(8-17)7-16(12(11)15-6-9)13(18)19-14(2,3)4/h5-7,17H,8H2,1-4H3 |
InChI Key: | DJICFPSXUIFDTJ-UHFFFAOYSA-N |
Purity: | 95 % |
MDL: | MFCD13563093 |
LogP: | 2.62020 |
Complexity: | 340 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.13174244 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.13174244 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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