2-Amino-5-(trifluoromethyl)nicotinic acid - CAS 944900-39-4
Catalog: |
BB041361 |
Product Name: |
2-Amino-5-(trifluoromethyl)nicotinic acid |
CAS: |
944900-39-4 |
Synonyms: |
2-amino-5-(trifluoromethyl)pyridine-3-carboxylic acid |
IUPAC Name: | 2-amino-5-(trifluoromethyl)pyridine-3-carboxylic acid |
Description: | 2-Amino-5-(trifluoromethyl)nicotinic acid (CAS# 944900-39-4) is a useful research chemical. |
Molecular Weight: | 206.12 |
Molecular Formula: | C7H5F3N2O2 |
Canonical SMILES: | C1=C(C(=NC=C1C(F)(F)F)N)C(=O)O |
InChI: | InChI=1S/C7H5F3N2O2/c8-7(9,10)3-1-4(6(13)14)5(11)12-2-3/h1-2H,(H2,11,12)(H,13,14) |
InChI Key: | KTYDRFWLNANPIH-UHFFFAOYSA-N |
LogP: | 1.96200 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020339559-A1 | Heterocyclic compounds and their use for treatment of helminthic infections and diseases | 20190426 |
WO-2020219871-A1 | Heterocyclic compounds and their use for treatment of helminthic infections and diseases | 20190426 |
AU-2014338070-A1 | Quinazolinone and isoquinolinone derivative | 20131023 |
CA-2927830-A1 | Quinazolinone and isoquinolinone derivative | 20131023 |
EP-3061749-A1 | Quinazolinone and isoquinolinone derivative | 20131023 |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.03031189 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.03031189 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 76.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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