methyl 4-furo[3,2-c]pyridin-4-yl-3-hydroxybenzoate

C15H11NO4 — CID 162519514

IUPACmethyl 4-furo[3,2-c]pyridin-4-yl-3-hydroxybenzoate
SMILESCOC(=O)c1ccc(-c2nccc3occc23)c(O)c1
InChIInChI=1S/C15H11NO4/c1-19-15(18)9-2-3-10(12(17)8-9)14-11-5-7-20-13(11)4-6-16-14/h2-8,17H,1H3
InChIKeyIRXGRBWGSXHEFY-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.99
Rot. Bonds2

About methyl 4-furo[3,2-c]pyridin-4-yl-3-hydroxybenzoate

methyl 4-furo[3,2-c]pyridin-4-yl-3-hydroxybenzoate (PubChem CID 162519514) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 4-furo[3,2-c]pyridin-4-yl-3-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 4-furo[3,2-c]pyridin-4-yl-3-hydroxybenzoate
PubChem CID162519514
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Namemethyl 4-furo[3,2-c]pyridin-4-yl-3-hydroxybenzoate
SMILESCOC(=O)c1ccc(-c2nccc3occc23)c(O)c1
InChIInChI=1S/C15H11NO4/c1-19-15(18)9-2-3-10(12(17)8-9)14-11-5-7-20-13(11)4-6-16-14/h2-8,17H,1H3
InChIKeyIRXGRBWGSXHEFY-UHFFFAOYSA-N
XLogP2.99
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-furo[3,2-c]pyridin-4-yl-3-hydroxybenzoate?
The IUPAC name of methyl 4-furo[3,2-c]pyridin-4-yl-3-hydroxybenzoate (CID 162519514) is methyl 4-furo[3,2-c]pyridin-4-yl-3-hydroxybenzoate.
What is the SMILES notation for methyl 4-furo[3,2-c]pyridin-4-yl-3-hydroxybenzoate?
The canonical SMILES for methyl 4-furo[3,2-c]pyridin-4-yl-3-hydroxybenzoate is COC(=O)c1ccc(-c2nccc3occc23)c(O)c1.
What is the InChIKey of methyl 4-furo[3,2-c]pyridin-4-yl-3-hydroxybenzoate?
The InChIKey is IRXGRBWGSXHEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-19-15(18)9-2-3-10(12(17)8-9)14-11-5-7-20-13(11)4-6-16-14/h2-8,17H,1H3.
What are the key properties of methyl 4-furo[3,2-c]pyridin-4-yl-3-hydroxybenzoate?
methyl 4-furo[3,2-c]pyridin-4-yl-3-hydroxybenzoate has a molecular weight of 269.26 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-furo[3,2-c]pyridin-4-yl-3-hydroxybenzoate is sourced from PubChem (CID 162519514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).