Methyl 3-Fluoropyridine-2-carboxylate - CAS 869108-35-0
Catalog: |
BB038119 |
Product Name: |
Methyl 3-Fluoropyridine-2-carboxylate |
CAS: |
869108-35-0 |
Synonyms: |
3-fluoro-2-pyridinecarboxylic acid methyl ester; methyl 3-fluoropyridine-2-carboxylate |
IUPAC Name: | methyl 3-fluoropyridine-2-carboxylate |
Description: | Methyl 3-Fluoropyridine-2-carboxylate (CAS# 869108-35-0) is a useful research chemical. |
Molecular Weight: | 155.13 |
Molecular Formula: | C7H6FNO2 |
Canonical SMILES: | COC(=O)C1=C(C=CC=N1)F |
InChI: | InChI=1S/C7H6FNO2/c1-11-7(10)6-5(8)3-2-4-9-6/h2-4H,1H3 |
InChI Key: | CZBVTGOJEKVWBB-UHFFFAOYSA-N |
Boiling Point: | 228.8 °C at 760 mmHg |
Density: | 1.243 g/cm3 |
MDL: | MFCD06659496 |
LogP: | 1.00730 |
Publication Number | Title | Priority Date |
CN-113072564-A | Heteroaromatic ring compound and application thereof | 20210323 |
CN-112891348-A | Use and pharmaceutical composition of phenyl isoxazolyl methylene-naphthalene-ether derivatives | 20191203 |
CN-112898289-A | Compounds for modulating FXR activity and uses thereof | 20191203 |
WO-2021108974-A1 | Compounds for modulating activity of fxr and uses thereof | 20191203 |
WO-2021109712-A1 | Compounds for modulating activity of fxr and uses thereof | 20191203 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.0382566 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.0382566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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