methyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]-4-methylbenzoate

C22H16FNO3 — CID 67217293

IUPACmethyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(-c2cnc3oc(-c4ccc(F)cc4)cc3c2)c1
InChIInChI=1S/C22H16FNO3/c1-13-3-4-15(22(25)26-2)10-19(13)17-9-16-11-20(27-21(16)24-12-17)14-5-7-18(23)8-6-14/h3-12H,1-2H3
InChIKeyXHVJHAXSBDNIIK-UHFFFAOYSA-N
MW361.37 g/mol
LogP5.40
Rot. Bonds3

About methyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]-4-methylbenzoate

methyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]-4-methylbenzoate (PubChem CID 67217293) has the molecular formula C22H16FNO3 and a molecular weight of 361.37 g/mol. Its IUPAC name is methyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]-4-methylbenzoate
PubChem CID67217293
Molecular FormulaC22H16FNO3
Molecular Weight361.37 g/mol
Exact Mass361.11
IUPAC Namemethyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(-c2cnc3oc(-c4ccc(F)cc4)cc3c2)c1
InChIInChI=1S/C22H16FNO3/c1-13-3-4-15(22(25)26-2)10-19(13)17-9-16-11-20(27-21(16)24-12-17)14-5-7-18(23)8-6-14/h3-12H,1-2H3
InChIKeyXHVJHAXSBDNIIK-UHFFFAOYSA-N
XLogP5.40
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.37
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Sgc-camkk2-1
CID 154700451
2-Cyclopentyl-4-(5-Phenylfuro[2,3-B]pyridin-3-Yl)benzoic Acid
CID 124222750
5-(3-(tert-butylcarbamoyl)phenyl)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 59233666
(2S)-2-[4-[4-(2-benzylfuro[2,3-b]pyridin-3-yl)phenyl]phenoxy]-3-phenylpropanoic acid
CID 10673660
2-N-Methyl-6-oxaellipticinium acetate
CID 10018975
US11572366, Example 10
CID 129137950
US11572366, Example 9
CID 129138010
US10654814, Example 113
CID 129283317
5-Bromo-2-(4-fluorophenyl)furo[2,3-b]pyridine
CID 59233714
Phenyl 1,3-dioxo-2-(pyridin-4-ylmethyl)isoindole-5-carboxylate
CID 2668313
2-Cyclopentyl-4-furo[2,3-b]pyridin-3-ylbenzoic acid
CID 164617625
Furo(2,3-c)isoquinoline
CID 45257578

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]-4-methylbenzoate?
The IUPAC name of methyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]-4-methylbenzoate (CID 67217293) is methyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]-4-methylbenzoate?
The canonical SMILES for methyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]-4-methylbenzoate is COC(=O)c1ccc(C)c(-c2cnc3oc(-c4ccc(F)cc4)cc3c2)c1.
What is the InChIKey of methyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]-4-methylbenzoate?
The InChIKey is XHVJHAXSBDNIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO3/c1-13-3-4-15(22(25)26-2)10-19(13)17-9-16-11-20(27-21(16)24-12-17)14-5-7-18(23)8-6-14/h3-12H,1-2H3.
What are the key properties of methyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]-4-methylbenzoate?
methyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]-4-methylbenzoate has a molecular weight of 361.37 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]-4-methylbenzoate is sourced from PubChem (CID 67217293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).