4-[2-(4-fluorophenyl)-3-methoxycarbonylfuro[2,3-b]pyridin-5-yl]benzoic acid

C22H14FNO5 — CID 150534684

IUPAC4-[2-(4-fluorophenyl)-3-methoxycarbonylfuro[2,3-b]pyridin-5-yl]benzoic acid
SMILESCOC(=O)c1c(-c2ccc(F)cc2)oc2ncc(-c3ccc(C(=O)O)cc3)cc12
InChIInChI=1S/C22H14FNO5/c1-28-22(27)18-17-10-15(12-2-4-14(5-3-12)21(25)26)11-24-20(17)29-19(18)13-6-8-16(23)9-7-13/h2-11H,1H3,(H,25,26)
InChIKeyIEOXSCQZLBARQT-UHFFFAOYSA-N
MW391.35 g/mol
LogP4.79
Rot. Bonds4

About 4-[2-(4-fluorophenyl)-3-methoxycarbonylfuro[2,3-b]pyridin-5-yl]benzoic acid

4-[2-(4-fluorophenyl)-3-methoxycarbonylfuro[2,3-b]pyridin-5-yl]benzoic acid (PubChem CID 150534684) has the molecular formula C22H14FNO5 and a molecular weight of 391.35 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-3-methoxycarbonylfuro[2,3-b]pyridin-5-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-3-methoxycarbonylfuro[2,3-b]pyridin-5-yl]benzoic acid
PubChem CID150534684
Molecular FormulaC22H14FNO5
Molecular Weight391.35 g/mol
Exact Mass391.09
IUPAC Name4-[2-(4-fluorophenyl)-3-methoxycarbonylfuro[2,3-b]pyridin-5-yl]benzoic acid
SMILESCOC(=O)c1c(-c2ccc(F)cc2)oc2ncc(-c3ccc(C(=O)O)cc3)cc12
InChIInChI=1S/C22H14FNO5/c1-28-22(27)18-17-10-15(12-2-4-14(5-3-12)21(25)26)11-24-20(17)29-19(18)13-6-8-16(23)9-7-13/h2-11H,1H3,(H,25,26)
InChIKeyIEOXSCQZLBARQT-UHFFFAOYSA-N
XLogP4.79
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(4-fluorophenyl)-5-prop-2-enoxy-1-benzofuran-3-carboxylate
CID 68719193
methyl 2-(4-fluorophenyl)-5-phenylmethoxyfuro[2,3-c]pyridine-3-carboxylate
CID 67217578
methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
CID 68679956
methyl 2-(4-fluorophenyl)-5-propan-2-yl-1-benzofuran-3-carboxylate
CID 150397518
5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridin-5-yl]-2-methoxypyridine-3-carboxylic acid
CID 90441746
methyl 5-(4-fluorophenyl)pyridine-3-carboxylate
CID 22743456
3-[6-chloro-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-5-yl]-4-fluorobenzoic acid
CID 118390591
5-[3-carbamoyl-6-chloro-2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]pyridine-3-carboxylic acid
CID 123752022
methyl 2-(4-fluorophenyl)-5-methoxy-6-(5-methyl-1,2,4-oxadiazol-3-yl)-1-benzofuran-3-carboxylate
CID 68684289
methyl 5-(4-acetylphenyl)-2,4-dimethylfuran-3-carboxylate
CID 11380259
methyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-carboxylate
CID 24818793
methyl 5-bromo-6-chloro-2-(4-chlorophenyl)furo[2,3-b]pyridine-3-carboxylate
CID 118576869

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-3-methoxycarbonylfuro[2,3-b]pyridin-5-yl]benzoic acid?
The IUPAC name of 4-[2-(4-fluorophenyl)-3-methoxycarbonylfuro[2,3-b]pyridin-5-yl]benzoic acid (CID 150534684) is 4-[2-(4-fluorophenyl)-3-methoxycarbonylfuro[2,3-b]pyridin-5-yl]benzoic acid.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-3-methoxycarbonylfuro[2,3-b]pyridin-5-yl]benzoic acid?
The canonical SMILES for 4-[2-(4-fluorophenyl)-3-methoxycarbonylfuro[2,3-b]pyridin-5-yl]benzoic acid is COC(=O)c1c(-c2ccc(F)cc2)oc2ncc(-c3ccc(C(=O)O)cc3)cc12.
What is the InChIKey of 4-[2-(4-fluorophenyl)-3-methoxycarbonylfuro[2,3-b]pyridin-5-yl]benzoic acid?
The InChIKey is IEOXSCQZLBARQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FNO5/c1-28-22(27)18-17-10-15(12-2-4-14(5-3-12)21(25)26)11-24-20(17)29-19(18)13-6-8-16(23)9-7-13/h2-11H,1H3,(H,25,26).
What are the key properties of 4-[2-(4-fluorophenyl)-3-methoxycarbonylfuro[2,3-b]pyridin-5-yl]benzoic acid?
4-[2-(4-fluorophenyl)-3-methoxycarbonylfuro[2,3-b]pyridin-5-yl]benzoic acid has a molecular weight of 391.35 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-3-methoxycarbonylfuro[2,3-b]pyridin-5-yl]benzoic acid is sourced from PubChem (CID 150534684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).