5-(Difluoromethyl)pyridine-2-carboxylic acid - CAS 859538-41-3
Catalog: |
BB054398 |
Product Name: |
5-(Difluoromethyl)pyridine-2-carboxylic acid |
CAS: |
859538-41-3 |
Synonyms: |
5-(Difluoromethyl)picolinic acid; 2-Pyridinecarboxylic acid, 5-(difluoromethyl)- |
IUPAC Name: | 5-(difluoromethyl)pyridine-2-carboxylic acid |
Molecular Weight: | 173.12 |
Molecular Formula: | C7H5F2NO2 |
Canonical SMILES: | C1=CC(=NC=C1C(F)F)C(=O)O |
InChI: | InChI=1S/C7H5F2NO2/c8-6(9)4-1-2-5(7(11)12)10-3-4/h1-3,6H,(H,11,12) |
InChI Key: | MKLFNFRBDNMKIU-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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