5-[(4-fluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-2-carboxylic acid

C16H12FNO4 — CID 22320630

IUPAC5-[(4-fluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-2-carboxylic acid
SMILESCn1cc(Cc2ccc(F)cc2)c(=O)c2cc(C(=O)O)oc21
InChIInChI=1S/C16H12FNO4/c1-18-8-10(6-9-2-4-11(17)5-3-9)14(19)12-7-13(16(20)21)22-15(12)18/h2-5,7-8H,6H2,1H3,(H,20,21)
InChIKeyYBPMDIQNJCXZHI-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.56
Rot. Bonds3

About 5-[(4-fluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-2-carboxylic acid

5-[(4-fluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-2-carboxylic acid (PubChem CID 22320630) has the molecular formula C16H12FNO4 and a molecular weight of 301.27 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-2-carboxylic acid
PubChem CID22320630
Molecular FormulaC16H12FNO4
Molecular Weight301.27 g/mol
Exact Mass301.08
IUPAC Name5-[(4-fluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-2-carboxylic acid
SMILESCn1cc(Cc2ccc(F)cc2)c(=O)c2cc(C(=O)O)oc21
InChIInChI=1S/C16H12FNO4/c1-18-8-10(6-9-2-4-11(17)5-3-9)14(19)12-7-13(16(20)21)22-15(12)18/h2-5,7-8H,6H2,1H3,(H,20,21)
InChIKeyYBPMDIQNJCXZHI-UHFFFAOYSA-N
XLogP2.56
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,4-Difluorophenyl)methyl]-7-methyl-4,6-dioxofuro[2,3-b]pyridine-2-carboxylic acid
CID 22320569
5-[(3,4-Difluorophenyl)methyl]-7-methyl-6-oxofuro[2,3-b]pyridine-2-carboxylic acid
CID 22320625
N-benzyl-5-[(4-fluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-2-carboxamide
CID 69733343
3-[(3,4-Difluorophenyl)methyl]-1-methyl-2,4-dioxofuro[2,3-d]pyrimidine-6-carboxylic acid
CID 69870676
3-[(4-Fluorophenyl)methyl]-4-oxofuro[2,3-d]pyrimidine-6-carboxylic acid
CID 69873092
diethyl 4-oxo-7H-furo[2,3-b]pyridine-2,5-dicarboxylate
CID 304654
5-O-ethyl 2-O-methyl 4-oxo-7H-furo[2,3-b]pyridine-2,5-dicarboxylate
CID 10038479
5-[(4-Fluorophenyl)methyl-methylamino]furan-2-carboxylic acid
CID 55049993
5-[(3-Fluorophenyl)methyl-methylamino]furan-2-carboxylic acid
CID 55050475
5-[(2-Fluorophenyl)methyl-methylamino]furan-2-carboxylic acid
CID 62205325
5-[1-(2-Fluorophenyl)ethyl-methylamino]furan-2-carboxylic acid
CID 62984008
4,7-Dihydro-4-oxo-7-(2-phenylethyl)furo[2,3-b]pyridine-5-carboxylic acid ethyl ester
CID 10308508

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-2-carboxylic acid (CID 22320630) is 5-[(4-fluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-2-carboxylic acid is Cn1cc(Cc2ccc(F)cc2)c(=O)c2cc(C(=O)O)oc21.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is YBPMDIQNJCXZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO4/c1-18-8-10(6-9-2-4-11(17)5-3-9)14(19)12-7-13(16(20)21)22-15(12)18/h2-5,7-8H,6H2,1H3,(H,20,21).
What are the key properties of 5-[(4-fluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-2-carboxylic acid?
5-[(4-fluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 301.27 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 22320630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).