6-Methyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic Acid - CAS 1049606-20-3
Catalog: |
BB072814 |
Product Name: |
6-Methyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic Acid |
CAS: |
1049606-20-3 |
Synonyms: |
6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid;6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylicacid |
IUPAC Name: | 6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid |
Molecular Weight: | 245.15 |
Molecular Formula: | C10H6NO3F3 |
Canonical SMILES: | CC1=CC(=C2C=C(OC2=N1)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C10H6F3NO3/c1-4-2-6(10(11,12)13)5-3-7(9(15)16)17-8(5)14-4/h2-3H,1H3,(H,15,16) |
InChI Key: | VGENDFLHNFJIGW-UHFFFAOYSA-N |
Complexity: | 320 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.02997754 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.02997754 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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