Methyl 2-Amino-5-chloronicotinate - CAS 50735-33-6
Catalog: |
BB027198 |
Product Name: |
Methyl 2-Amino-5-chloronicotinate |
CAS: |
50735-33-6 |
Synonyms: |
2-amino-5-chloro-3-pyridinecarboxylic acid methyl ester; methyl 2-amino-5-chloropyridine-3-carboxylate |
IUPAC Name: | methyl 2-amino-5-chloropyridine-3-carboxylate |
Description: | Methyl 2-Amino-5-chloronicotinate (CAS# 50735-33-6) is a useful research chemical. |
Molecular Weight: | 186.60 |
Molecular Formula: | C7H7ClN2O2 |
Canonical SMILES: | COC(=O)C1=CC(=CN=C1N)Cl |
InChI: | InChI=1S/C7H7ClN2O2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,1H3,(H2,9,10) |
InChI Key: | PEYKGXOKTQNWCI-UHFFFAOYSA-N |
Appearance: | Off-white to yellow powder |
MDL: | MFCD09031678 |
LogP: | 1.68500 |
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 |
WO-2021178488-A1 | Eif4e inhibitors and uses thereof | 20200303 |
WO-2021032934-A1 | Enzyme inhibitors | 20190821 |
JP-2020180059-A | Vasopressin receptor antagonist | 20190424 |
JP-2021014406-A | Vasopressin receptor antagonist | 20171025 |
WO-2017192304-A1 | Arylcarboxamides and uses thereof | 20160502 |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.0196052 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.0196052 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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