6-(Boc-amino)nicotinic Acid - CAS 231958-14-8
Catalog: |
BB017978 |
Product Name: |
6-(Boc-amino)nicotinic Acid |
CAS: |
231958-14-8 |
Synonyms: |
6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinecarboxylic acid; 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid |
IUPAC Name: | 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid |
Description: | 6-(Boc-amino)nicotinic Acid (CAS# 231958-14-8) is a useful research chemical. |
Molecular Weight: | 238.24 |
Molecular Formula: | C11H14N2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=NC=C(C=C1)C(=O)O |
InChI: | InChI=1S/C11H14N2O4/c1-11(2,3)17-10(16)13-8-5-4-7(6-12-8)9(14)15/h4-6H,1-3H3,(H,14,15)(H,12,13,16) |
InChI Key: | STXYMSGJQJBIHL-UHFFFAOYSA-N |
Boiling Point: | 356.497 °C at 760 mmHg |
Density: | 1.293 g/cm3 |
MDL: | MFCD02682388 |
LogP: | 2.19980 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020263980-A1 | Imidazo[1,2-a]pyridinyl derivatives and their use in the treatment of disease | 20190627 |
CN-106608879-A | Protein kinase inhibitor and its preparation method and medical application | 20151027 |
EP-3369734-A1 | Kinase inhibitor, and preparing method and pharmaceutical use thereof | 20151027 |
US-10696678-B2 | Kinase inhibitor, and preparing method and pharmaceutical use thereof | 20151027 |
US-2018305363-A1 | Kinase inhibitor, and preparing method and pharmaceutical use thereof | 20151027 |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.09535693 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.09535693 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 88.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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