Methyl 3-(Boc-amino)pyridine-2-carboxylate - CAS 912369-42-7
Catalog: |
BB040087 |
Product Name: |
Methyl 3-(Boc-amino)pyridine-2-carboxylate |
CAS: |
912369-42-7 |
Synonyms: |
3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-pyridinecarboxylic acid methyl ester; methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate |
IUPAC Name: | methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate |
Description: | Methyl 3-(Boc-amino)pyridine-2-carboxylate (CAS# 912369-42-7) is a useful research chemical. |
Molecular Weight: | 252.27 |
Molecular Formula: | C12H16N2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=C(N=CC=C1)C(=O)OC |
InChI: | InChI=1S/C12H16N2O4/c1-12(2,3)18-11(16)14-8-6-5-7-13-9(8)10(15)17-4/h5-7H,1-4H3,(H,14,16) |
InChI Key: | AWHQAUKVCWXFSV-UHFFFAOYSA-N |
LogP: | 2.22880 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2016270907-A1 | Inhibitors of Bruton's tyrosine kinase | 20150602 |
EP-3310776-A2 | Inhibitors of bruton's tyrosine kinase | 20150602 |
US-2018305348-A1 | Inhibitors of brutons tyrosine kinase | 20150602 |
WO-2016196776-A2 | Inhibitors of bruton's tyrosine kinase | 20150602 |
AU-2016270907-B2 | Inhibitors of Bruton's tyrosine kinase | 20150602 |
Complexity: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.11100700 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.11100700 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 77.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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