3-[2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyridin-7-yl]benzoic acid

C22H14F3NO3 — CID 67185486

IUPAC3-[2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyridin-7-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccnc3cc(Cc4cccc(C(F)(F)F)c4)oc23)c1
InChIInChI=1S/C22H14F3NO3/c23-22(24,25)16-6-1-3-13(9-16)10-17-12-19-20(29-17)18(7-8-26-19)14-4-2-5-15(11-14)21(27)28/h1-9,11-12H,10H2,(H,27,28)
InChIKeyVATMRUCDCKZVNE-UHFFFAOYSA-N
MW397.35 g/mol
LogP5.80
Rot. Bonds4

About 3-[2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyridin-7-yl]benzoic acid

3-[2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyridin-7-yl]benzoic acid (PubChem CID 67185486) has the molecular formula C22H14F3NO3 and a molecular weight of 397.35 g/mol. Its IUPAC name is 3-[2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyridin-7-yl]benzoic acid.

Molecular Properties

Compound Name3-[2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyridin-7-yl]benzoic acid
PubChem CID67185486
Molecular FormulaC22H14F3NO3
Molecular Weight397.35 g/mol
Exact Mass397.09
IUPAC Name3-[2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyridin-7-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccnc3cc(Cc4cccc(C(F)(F)F)c4)oc23)c1
InChIInChI=1S/C22H14F3NO3/c23-22(24,25)16-6-1-3-13(9-16)10-17-12-19-20(29-17)18(7-8-26-19)14-4-2-5-15(11-14)21(27)28/h1-9,11-12H,10H2,(H,27,28)
InChIKeyVATMRUCDCKZVNE-UHFFFAOYSA-N
XLogP5.80
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.35
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-PB-22
CID 72710774
4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
6-[2-[4-Phenyl-3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid
CID 70688066
4-[2-[2-Phenylmethoxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid
CID 10310313
2-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)furo[3,2-b]pyridine
CID 10823129
Methanone, (3-hydroxyfuro[3,2-b]pyridin-2-yl)[3-(phenylmethyl)phenyl]-
CID 472318
2-(4-Methoxyphenyl)-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine
CID 24818798
2-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]furo[3,2-b]pyridine
CID 24819159
N-ethyl-N-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide
CID 71462281
5-(2-methyl-2H-imidazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine
CID 168275880
7-Acetyl-2,3-diphenylindolizin-1-yl acetate
CID 13697758
1-[[2-[4-(6-Fluoropyridin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methyl]azetidine-3-carboxylic acid
CID 137385052

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyridin-7-yl]benzoic acid?
The IUPAC name of 3-[2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyridin-7-yl]benzoic acid (CID 67185486) is 3-[2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyridin-7-yl]benzoic acid.
What is the SMILES notation for 3-[2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyridin-7-yl]benzoic acid?
The canonical SMILES for 3-[2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyridin-7-yl]benzoic acid is O=C(O)c1cccc(-c2ccnc3cc(Cc4cccc(C(F)(F)F)c4)oc23)c1.
What is the InChIKey of 3-[2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyridin-7-yl]benzoic acid?
The InChIKey is VATMRUCDCKZVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3NO3/c23-22(24,25)16-6-1-3-13(9-16)10-17-12-19-20(29-17)18(7-8-26-19)14-4-2-5-15(11-14)21(27)28/h1-9,11-12H,10H2,(H,27,28).
What are the key properties of 3-[2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyridin-7-yl]benzoic acid?
3-[2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyridin-7-yl]benzoic acid has a molecular weight of 397.35 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyridin-7-yl]benzoic acid is sourced from PubChem (CID 67185486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).