methyl 3-methyl-5-(7-phenylfuro[3,2-b]pyridin-2-yl)benzoate

C22H17NO3 — CID 66779782

IUPACmethyl 3-methyl-5-(7-phenylfuro[3,2-b]pyridin-2-yl)benzoate
SMILESCOC(=O)c1cc(C)cc(-c2cc3nccc(-c4ccccc4)c3o2)c1
InChIInChI=1S/C22H17NO3/c1-14-10-16(12-17(11-14)22(24)25-2)20-13-19-21(26-20)18(8-9-23-19)15-6-4-3-5-7-15/h3-13H,1-2H3
InChIKeyHAQCEGBMPBRAEE-UHFFFAOYSA-N
MW343.38 g/mol
LogP5.26
Rot. Bonds3

About methyl 3-methyl-5-(7-phenylfuro[3,2-b]pyridin-2-yl)benzoate

methyl 3-methyl-5-(7-phenylfuro[3,2-b]pyridin-2-yl)benzoate (PubChem CID 66779782) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 3-methyl-5-(7-phenylfuro[3,2-b]pyridin-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-methyl-5-(7-phenylfuro[3,2-b]pyridin-2-yl)benzoate
PubChem CID66779782
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Namemethyl 3-methyl-5-(7-phenylfuro[3,2-b]pyridin-2-yl)benzoate
SMILESCOC(=O)c1cc(C)cc(-c2cc3nccc(-c4ccccc4)c3o2)c1
InChIInChI=1S/C22H17NO3/c1-14-10-16(12-17(11-14)22(24)25-2)20-13-19-21(26-20)18(8-9-23-19)15-6-4-3-5-7-15/h3-13H,1-2H3
InChIKeyHAQCEGBMPBRAEE-UHFFFAOYSA-N
XLogP5.26
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.38
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-(7-phenylfuro[3,2-b]pyridin-2-yl)benzoate?
The IUPAC name of methyl 3-methyl-5-(7-phenylfuro[3,2-b]pyridin-2-yl)benzoate (CID 66779782) is methyl 3-methyl-5-(7-phenylfuro[3,2-b]pyridin-2-yl)benzoate.
What is the SMILES notation for methyl 3-methyl-5-(7-phenylfuro[3,2-b]pyridin-2-yl)benzoate?
The canonical SMILES for methyl 3-methyl-5-(7-phenylfuro[3,2-b]pyridin-2-yl)benzoate is COC(=O)c1cc(C)cc(-c2cc3nccc(-c4ccccc4)c3o2)c1.
What is the InChIKey of methyl 3-methyl-5-(7-phenylfuro[3,2-b]pyridin-2-yl)benzoate?
The InChIKey is HAQCEGBMPBRAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-14-10-16(12-17(11-14)22(24)25-2)20-13-19-21(26-20)18(8-9-23-19)15-6-4-3-5-7-15/h3-13H,1-2H3.
What are the key properties of methyl 3-methyl-5-(7-phenylfuro[3,2-b]pyridin-2-yl)benzoate?
methyl 3-methyl-5-(7-phenylfuro[3,2-b]pyridin-2-yl)benzoate has a molecular weight of 343.38 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-(7-phenylfuro[3,2-b]pyridin-2-yl)benzoate is sourced from PubChem (CID 66779782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).