methyl 4-(3-phenylphenyl)furo[2,3-c]pyridine-2-carboxylate

C21H15NO3 — CID 69486162

IUPACmethyl 4-(3-phenylphenyl)furo[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(-c3cccc(-c4ccccc4)c3)cncc2o1
InChIInChI=1S/C21H15NO3/c1-24-21(23)19-11-17-18(12-22-13-20(17)25-19)16-9-5-8-15(10-16)14-6-3-2-4-7-14/h2-13H,1H3
InChIKeyLHQYDSSRONSIOL-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.95
Rot. Bonds3

About methyl 4-(3-phenylphenyl)furo[2,3-c]pyridine-2-carboxylate

methyl 4-(3-phenylphenyl)furo[2,3-c]pyridine-2-carboxylate (PubChem CID 69486162) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is methyl 4-(3-phenylphenyl)furo[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-phenylphenyl)furo[2,3-c]pyridine-2-carboxylate
PubChem CID69486162
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Namemethyl 4-(3-phenylphenyl)furo[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(-c3cccc(-c4ccccc4)c3)cncc2o1
InChIInChI=1S/C21H15NO3/c1-24-21(23)19-11-17-18(12-22-13-20(17)25-19)16-9-5-8-15(10-16)14-6-3-2-4-7-14/h2-13H,1H3
InChIKeyLHQYDSSRONSIOL-UHFFFAOYSA-N
XLogP4.95
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-phenylphenyl)furo[2,3-c]pyridine-2-carboxylate?
The IUPAC name of methyl 4-(3-phenylphenyl)furo[2,3-c]pyridine-2-carboxylate (CID 69486162) is methyl 4-(3-phenylphenyl)furo[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(3-phenylphenyl)furo[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(3-phenylphenyl)furo[2,3-c]pyridine-2-carboxylate is COC(=O)c1cc2c(-c3cccc(-c4ccccc4)c3)cncc2o1.
What is the InChIKey of methyl 4-(3-phenylphenyl)furo[2,3-c]pyridine-2-carboxylate?
The InChIKey is LHQYDSSRONSIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c1-24-21(23)19-11-17-18(12-22-13-20(17)25-19)16-9-5-8-15(10-16)14-6-3-2-4-7-14/h2-13H,1H3.
What are the key properties of methyl 4-(3-phenylphenyl)furo[2,3-c]pyridine-2-carboxylate?
methyl 4-(3-phenylphenyl)furo[2,3-c]pyridine-2-carboxylate has a molecular weight of 329.36 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-phenylphenyl)furo[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 69486162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).