Methyl 2-fluoropyridine-3-carboxylate - CAS 446-26-4
Catalog: |
BB025664 |
Product Name: |
Methyl 2-fluoropyridine-3-carboxylate |
CAS: |
446-26-4 |
Synonyms: |
methyl 2-fluoropyridine-3-carboxylate |
IUPAC Name: | methyl 2-fluoropyridine-3-carboxylate |
Description: | Methyl 2-fluoropyridine-3-carboxylate (CAS# 446-26-4) is a useful research chemical. |
Molecular Weight: | 155.13 |
Molecular Formula: | C7H6FNO2 |
Canonical SMILES: | COC(=O)C1=C(N=CC=C1)F |
InChI: | InChI=1S/C7H6FNO2/c1-11-7(10)5-3-2-4-9-6(5)8/h2-4H,1H3 |
InChI Key: | PJNHJXKXBSOLBH-UHFFFAOYSA-N |
Boiling Point: | 75 °C / 5 mmHg |
Melting Point: | 22-26 °C |
Purity: | 95 % |
Density: | 1.243 g/cm3 |
Appearance: | Colorless to yellow liquid |
Storage: | Room temperature. |
MDL: | MFCD03095072 |
LogP: | 1.00730 |
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-2020243459-A1 | Thiadiazolyl derivatives as dna polymerase theta inhibitors | 20190531 |
CN-111217810-A | Azacyclodiketone compound and preparation method thereof | 20181123 |
US-2020140411-A1 | 2-amino-n-heteroaryl-nicotinamides as nav1.8 inhibitors | 20181102 |
WO-2020092667-A1 | 2-amino-n-heteroaryl-nicotinamides as nav1.8 inhibitors | 20181102 |
TW-202031643-A | 2- amino-n-heteroaryl-nicotinamides as nav1.8 inhibitors | 20181102 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.03825660 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.03825660 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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