3-Bromo-5-fluoroisonicotinic Acid - CAS 955372-86-8
Catalog: |
BB041754 |
Product Name: |
3-Bromo-5-fluoroisonicotinic Acid |
CAS: |
955372-86-8 |
Synonyms: |
3-bromo-5-fluoro-4-pyridinecarboxylic acid; 3-bromo-5-fluoropyridine-4-carboxylic acid |
IUPAC Name: | 3-bromo-5-fluoropyridine-4-carboxylic acid |
Description: | 3-Bromo-5-fluoroisonicotinic Acid (CAS# 955372-86-8) is a useful research chemical. |
Molecular Weight: | 220.00 |
Molecular Formula: | C6H3BrFNO2 |
Canonical SMILES: | C1=C(C(=C(C=N1)Br)C(=O)O)F |
InChI: | InChI=1S/C6H3BrFNO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11) |
InChI Key: | MKWGICBLFLGJBI-UHFFFAOYSA-N |
LogP: | 1.68140 |
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, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-3085255-A1 | Eif4e-inhibiting compounds and methods | 20190702 |
WO-2021003157-A1 | Eif4e-inhibiting 4-oxo-3,4-dihydropyrido[3,4-d]pyrimidine compounds | 20190702 |
US-2020109141-A1 | Amino acid compounds and methods of use | 20181008 |
WO-2020076862-A1 | Amino acid compounds and methods of use | 20181008 |
CN-113195053-A | Amino acid compounds and methods of use | 20181008 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.93312 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.93312 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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