6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid

C10H6F3NO3 — CID 25313242

IUPAC6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid
SMILESCc1cc(C(F)(F)F)c2cc(C(=O)O)oc2n1
InChIInChI=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)
InChIKeyVGENDFLHNFJIGW-UHFFFAOYSA-N
MW245.16 g/mol
LogP2.85
Rot. Bonds1

About 6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid

6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 25313242) has the molecular formula C10H6F3NO3 and a molecular weight of 245.16 g/mol. Its IUPAC name is 6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid
PubChem CID25313242
Molecular FormulaC10H6F3NO3
Molecular Weight245.16 g/mol
Exact Mass245.03
IUPAC Name6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid
SMILESCc1cc(C(F)(F)F)c2cc(C(=O)O)oc2n1
InChIInChI=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)
InChIKeyVGENDFLHNFJIGW-UHFFFAOYSA-N
XLogP2.85
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid (CID 25313242) is 6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid is Cc1cc(C(F)(F)F)c2cc(C(=O)O)oc2n1.
What is the InChIKey of 6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is VGENDFLHNFJIGW-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of 6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid?
6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 245.16 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 25313242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).