methyl 2-(4-fluorophenyl)-5-phenylmethoxyfuro[2,3-c]pyridine-3-carboxylate

C22H16FNO4 — CID 67217578

IUPACmethyl 2-(4-fluorophenyl)-5-phenylmethoxyfuro[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)oc2cnc(OCc3ccccc3)cc12
InChIInChI=1S/C22H16FNO4/c1-26-22(25)20-17-11-19(27-13-14-5-3-2-4-6-14)24-12-18(17)28-21(20)15-7-9-16(23)10-8-15/h2-12H,13H2,1H3
InChIKeyMEUZBAKAJYMHBI-UHFFFAOYSA-N
MW377.37 g/mol
LogP5.00
Rot. Bonds5

About methyl 2-(4-fluorophenyl)-5-phenylmethoxyfuro[2,3-c]pyridine-3-carboxylate

methyl 2-(4-fluorophenyl)-5-phenylmethoxyfuro[2,3-c]pyridine-3-carboxylate (PubChem CID 67217578) has the molecular formula C22H16FNO4 and a molecular weight of 377.37 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-5-phenylmethoxyfuro[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-5-phenylmethoxyfuro[2,3-c]pyridine-3-carboxylate
PubChem CID67217578
Molecular FormulaC22H16FNO4
Molecular Weight377.37 g/mol
Exact Mass377.11
IUPAC Namemethyl 2-(4-fluorophenyl)-5-phenylmethoxyfuro[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)oc2cnc(OCc3ccccc3)cc12
InChIInChI=1S/C22H16FNO4/c1-26-22(25)20-17-11-19(27-13-14-5-3-2-4-6-14)24-12-18(17)28-21(20)15-7-9-16(23)10-8-15/h2-12H,13H2,1H3
InChIKeyMEUZBAKAJYMHBI-UHFFFAOYSA-N
XLogP5.00
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
CID 68679956
methyl 4-oxo-2-(4-phenylmethoxyphenyl)chromene-3-carboxylate
CID 14791371
methyl 2-(4-fluorophenyl)-5-propan-2-yl-1-benzofuran-3-carboxylate
CID 150397518
methyl 2-(4-fluorophenyl)-5-prop-2-enoxy-1-benzofuran-3-carboxylate
CID 68719193
ethyl 5-hydroxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-3-carboxylate
CID 68682648
4-[2-(4-fluorophenyl)-3-methoxycarbonylfuro[2,3-b]pyridin-5-yl]benzoic acid
CID 150534684
methyl 2-(4-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)furan-3-carboxylate
CID 122400276
methyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-carboxylate
CID 24818793
methyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate
CID 58748868
methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate
CID 58368225
2-(4-fluorophenyl)-5-(hydroxymethyl)furo[2,3-c]pyridine-3-carboxamide
CID 91079411
5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
CID 70688323

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-5-phenylmethoxyfuro[2,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-5-phenylmethoxyfuro[2,3-c]pyridine-3-carboxylate (CID 67217578) is methyl 2-(4-fluorophenyl)-5-phenylmethoxyfuro[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-5-phenylmethoxyfuro[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-5-phenylmethoxyfuro[2,3-c]pyridine-3-carboxylate is COC(=O)c1c(-c2ccc(F)cc2)oc2cnc(OCc3ccccc3)cc12.
What is the InChIKey of methyl 2-(4-fluorophenyl)-5-phenylmethoxyfuro[2,3-c]pyridine-3-carboxylate?
The InChIKey is MEUZBAKAJYMHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO4/c1-26-22(25)20-17-11-19(27-13-14-5-3-2-4-6-14)24-12-18(17)28-21(20)15-7-9-16(23)10-8-15/h2-12H,13H2,1H3.
What are the key properties of methyl 2-(4-fluorophenyl)-5-phenylmethoxyfuro[2,3-c]pyridine-3-carboxylate?
methyl 2-(4-fluorophenyl)-5-phenylmethoxyfuro[2,3-c]pyridine-3-carboxylate has a molecular weight of 377.37 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-5-phenylmethoxyfuro[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 67217578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).