methyl 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoate

C15H10FNO3 — CID 162519573

IUPACmethyl 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoate
SMILESCOC(=O)c1ccc(-c2nccc3occc23)c(F)c1
InChIInChI=1S/C15H10FNO3/c1-19-15(18)9-2-3-10(12(16)8-9)14-11-5-7-20-13(11)4-6-17-14/h2-8H,1H3
InChIKeyVWQDTUDYVVIWOJ-UHFFFAOYSA-N
MW271.25 g/mol
LogP3.42
Rot. Bonds2

About methyl 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoate

methyl 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoate (PubChem CID 162519573) has the molecular formula C15H10FNO3 and a molecular weight of 271.25 g/mol. Its IUPAC name is methyl 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoate
PubChem CID162519573
Molecular FormulaC15H10FNO3
Molecular Weight271.25 g/mol
Exact Mass271.06
IUPAC Namemethyl 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoate
SMILESCOC(=O)c1ccc(-c2nccc3occc23)c(F)c1
InChIInChI=1S/C15H10FNO3/c1-19-15(18)9-2-3-10(12(16)8-9)14-11-5-7-20-13(11)4-6-17-14/h2-8H,1H3
InChIKeyVWQDTUDYVVIWOJ-UHFFFAOYSA-N
XLogP3.42
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoate?
The IUPAC name of methyl 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoate (CID 162519573) is methyl 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoate.
What is the SMILES notation for methyl 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoate?
The canonical SMILES for methyl 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoate is COC(=O)c1ccc(-c2nccc3occc23)c(F)c1.
What is the InChIKey of methyl 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoate?
The InChIKey is VWQDTUDYVVIWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3/c1-19-15(18)9-2-3-10(12(16)8-9)14-11-5-7-20-13(11)4-6-17-14/h2-8H,1H3.
What are the key properties of methyl 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoate?
methyl 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoate has a molecular weight of 271.25 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoate is sourced from PubChem (CID 162519573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).