6-(Difluoromethyl)nicotinic Acid - CAS 913091-98-2
Catalog: |
BB040114 |
Product Name: |
6-(Difluoromethyl)nicotinic Acid |
CAS: |
913091-98-2 |
Synonyms: |
6-(difluoromethyl)-3-pyridinecarboxylic acid; 6-(difluoromethyl)pyridine-3-carboxylic acid |
IUPAC Name: | 6-(difluoromethyl)pyridine-3-carboxylic acid |
Description: | 6-(Difluoromethyl)nicotinic Acid (CAS# 913091-98-2) is a useful research chemical. |
Molecular Weight: | 173.12 |
Molecular Formula: | C7H5F2NO2 |
Canonical SMILES: | C1=CC(=NC=C1C(=O)O)C(F)F |
InChI: | InChI=1S/C7H5F2NO2/c8-6(9)5-2-1-4(3-10-5)7(11)12/h1-3,6H,(H,11,12) |
InChI Key: | YRYYIHGIWKUSPG-UHFFFAOYSA-N |
LogP: | 1.71740 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3710428-A1 | Modulators of the integrated stress pathway | 20171102 |
US-2020345727-A1 | Modulators of the integrated stress pathway | 20171102 |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.02883473 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.02883473 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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