5-[(3,4-difluorophenyl)methyl]-7-methyl-6-oxofuro[2,3-b]pyridine-2-carboxylic acid

C16H11F2NO4 — CID 22320625

IUPAC5-[(3,4-difluorophenyl)methyl]-7-methyl-6-oxofuro[2,3-b]pyridine-2-carboxylic acid
SMILESCn1c(=O)c(Cc2ccc(F)c(F)c2)cc2cc(C(=O)O)oc21
InChIInChI=1S/C16H11F2NO4/c1-19-14(20)9(4-8-2-3-11(17)12(18)5-8)6-10-7-13(16(21)22)23-15(10)19/h2-3,5-7H,4H2,1H3,(H,21,22)
InChIKeyDAPAGFWYKVLHNP-UHFFFAOYSA-N
MW319.26 g/mol
LogP2.70
Rot. Bonds3

About 5-[(3,4-difluorophenyl)methyl]-7-methyl-6-oxofuro[2,3-b]pyridine-2-carboxylic acid

5-[(3,4-difluorophenyl)methyl]-7-methyl-6-oxofuro[2,3-b]pyridine-2-carboxylic acid (PubChem CID 22320625) has the molecular formula C16H11F2NO4 and a molecular weight of 319.26 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)methyl]-7-methyl-6-oxofuro[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)methyl]-7-methyl-6-oxofuro[2,3-b]pyridine-2-carboxylic acid
PubChem CID22320625
Molecular FormulaC16H11F2NO4
Molecular Weight319.26 g/mol
Exact Mass319.07
IUPAC Name5-[(3,4-difluorophenyl)methyl]-7-methyl-6-oxofuro[2,3-b]pyridine-2-carboxylic acid
SMILESCn1c(=O)c(Cc2ccc(F)c(F)c2)cc2cc(C(=O)O)oc21
InChIInChI=1S/C16H11F2NO4/c1-19-14(20)9(4-8-2-3-11(17)12(18)5-8)6-10-7-13(16(21)22)23-15(10)19/h2-3,5-7H,4H2,1H3,(H,21,22)
InChIKeyDAPAGFWYKVLHNP-UHFFFAOYSA-N
XLogP2.70
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)methyl]-7-methyl-6-oxofuro[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(3,4-difluorophenyl)methyl]-7-methyl-6-oxofuro[2,3-b]pyridine-2-carboxylic acid (CID 22320625) is 5-[(3,4-difluorophenyl)methyl]-7-methyl-6-oxofuro[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(3,4-difluorophenyl)methyl]-7-methyl-6-oxofuro[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(3,4-difluorophenyl)methyl]-7-methyl-6-oxofuro[2,3-b]pyridine-2-carboxylic acid is Cn1c(=O)c(Cc2ccc(F)c(F)c2)cc2cc(C(=O)O)oc21.
What is the InChIKey of 5-[(3,4-difluorophenyl)methyl]-7-methyl-6-oxofuro[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is DAPAGFWYKVLHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO4/c1-19-14(20)9(4-8-2-3-11(17)12(18)5-8)6-10-7-13(16(21)22)23-15(10)19/h2-3,5-7H,4H2,1H3,(H,21,22).
What are the key properties of 5-[(3,4-difluorophenyl)methyl]-7-methyl-6-oxofuro[2,3-b]pyridine-2-carboxylic acid?
5-[(3,4-difluorophenyl)methyl]-7-methyl-6-oxofuro[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 319.26 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)methyl]-7-methyl-6-oxofuro[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 22320625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).