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

C9H4F3NO3 — CID 82376011

IUPAC4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(C(F)(F)F)ccnc2o1
InChIInChI=1S/C9H4F3NO3/c10-9(11,12)5-1-2-13-7-4(5)3-6(16-7)8(14)15/h1-3H,(H,14,15)
InChIKeyLJOMHQSAAGUDNV-UHFFFAOYSA-N
MW231.13 g/mol
LogP2.54
Rot. Bonds1

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

4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 82376011) has the molecular formula C9H4F3NO3 and a molecular weight of 231.13 g/mol. Its IUPAC name is 4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid
PubChem CID82376011
Molecular FormulaC9H4F3NO3
Molecular Weight231.13 g/mol
Exact Mass231.01
IUPAC Name4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(C(F)(F)F)ccnc2o1
InChIInChI=1S/C9H4F3NO3/c10-9(11,12)5-1-2-13-7-4(5)3-6(16-7)8(14)15/h1-3H,(H,14,15)
InChIKeyLJOMHQSAAGUDNV-UHFFFAOYSA-N
XLogP2.54
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylfuro[2,3-b]pyridine-2-carboxylic acid
CID 82376010
7-fluoro-4-(trifluoromethyl)-1-benzofuran-2-carboxylic acid
CID 121414290
4-(4-methylphenyl)furo[2,3-b]pyridine-2-carboxylic acid
CID 82376004
4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 82375963
5-methyl-4-phenylfuro[2,3-b]pyridine-2-carboxylic acid
CID 82376002
3-phenoxy-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 154447093
2-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridine-4-carboxylic acid
CID 115113980
3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-4-carboxylic acid
CID 112545408
4-amino-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118817826
6-methyl-4-pyridin-2-ylfuro[2,3-b]pyridine-2-carboxylic acid
CID 82375980
5-(4-phenylphenyl)furo[2,3-b]pyridine-2-carboxylic acid
CID 155391838
4-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 53223943

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid (CID 82376011) is 4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1cc2c(C(F)(F)F)ccnc2o1.
What is the InChIKey of 4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is LJOMHQSAAGUDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO3/c10-9(11,12)5-1-2-13-7-4(5)3-6(16-7)8(14)15/h1-3H,(H,14,15).
What are the key properties of 4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid?
4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 231.13 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 82376011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).