2-Chloro-3-fluoropyridine-4-carboxylic acid - CAS 628691-93-0
Catalog: |
BB031852 |
Product Name: |
2-Chloro-3-fluoropyridine-4-carboxylic acid |
CAS: |
628691-93-0 |
Synonyms: |
2-chloro-3-fluoropyridine-4-carboxylic acid |
IUPAC Name: | 2-chloro-3-fluoropyridine-4-carboxylic acid |
Description: | 2-Chloro-3-fluoropyridine-4-carboxylic acid (CAS# 628691-93-0) is a useful research chemical. |
Molecular Weight: | 175.54 |
Molecular Formula: | C6H3ClFNO2 |
Canonical SMILES: | C1=CN=C(C(=C1C(=O)O)F)Cl |
InChI: | InChI=1S/C6H3ClFNO2/c7-5-4(8)3(6(10)11)1-2-9-5/h1-2H,(H,10,11) |
InChI Key: | NWNWBLRKHOVSEL-UHFFFAOYSA-N |
Boiling Point: | 272.6 °C at 760 mmHg |
Melting Point: | 199 °C (dec.) |
Purity: | 97 % |
Density: | 1.614 g/cm3 |
MDL: | MFCD04038325 |
LogP: | 1.57230 |
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-2021126728-A1 | Prmt5 inhibitors | 20191217 |
WO-2021041671-A1 | Kras g12d inhibitors | 20190829 |
WO-2021032148-A1 | Aminopyrazine compounds as hpk1 inhibitor and the use thereof | 20190821 |
US-2020385398-A1 | New bicyclic derivatives | 20190607 |
WO-2020247747-A1 | Bicyclic derivatives for treating endoparasites | 20190607 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.9836342 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.9836342 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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