Methyl 5-fluoropyrimidine-2-carboxylate - CAS 1227575-47-4
Catalog: |
BB005490 |
Product Name: |
Methyl 5-fluoropyrimidine-2-carboxylate |
CAS: |
1227575-47-4 |
Synonyms: |
5-fluoro-2-pyrimidinecarboxylic acid methyl ester; methyl 5-fluoropyrimidine-2-carboxylate |
IUPAC Name: | methyl 5-fluoropyrimidine-2-carboxylate |
Description: | Methyl 5-fluoropyrimidine-2-carboxylate (CAS# 1227575-47-4) is a useful research chemical. |
Molecular Weight: | 156.116 |
Molecular Formula: | C6H5FN2O2 |
Canonical SMILES: | COC(=O)C1=NC=C(C=N1)F |
InChI: | InChI=1S/C6H5FN2O2/c1-11-6(10)5-8-2-4(7)3-9-5/h2-3H,1H3 |
InChI Key: | BAWZGVWTHJYDFE-UHFFFAOYSA-N |
Appearance: | White to yellow solid |
LogP: | 0.40230 |
Publication Number | Title | Priority Date |
WO-2019169193-A1 | Compounds and compositions for treating conditions associated with apj receptor activity | 20180301 |
CN-112055713-A | Compounds and compositions for treating diseases associated with APJ receptor activity | 20180301 |
EP-3759095-A1 | Compounds and compositions for treating conditions associated with apj receptor activity | 20180301 |
US-2021053936-A1 | Compounds and compositions for treating conditions associated with apj receptor activity | 20180301 |
EP-2970287-A1 | P2x7 modulators | 20130314 |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.03350557 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.03350557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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