4-(4-chlorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylic acid

C15H10ClNO4 — CID 151544448

IUPAC4-(4-chlorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylic acid
SMILESCc1nc2c(c(-c3ccc(Cl)cc3)c1C(=O)O)C(=O)OC2
InChIInChI=1S/C15H10ClNO4/c1-7-11(14(18)19)12(8-2-4-9(16)5-3-8)13-10(17-7)6-21-15(13)20/h2-5H,6H2,1H3,(H,18,19)
InChIKeyPZDRQYOTCWDFQM-UHFFFAOYSA-N
MW303.70 g/mol
LogP3.08
Rot. Bonds2

About 4-(4-chlorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylic acid

4-(4-chlorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylic acid (PubChem CID 151544448) has the molecular formula C15H10ClNO4 and a molecular weight of 303.70 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylic acid
PubChem CID151544448
Molecular FormulaC15H10ClNO4
Molecular Weight303.70 g/mol
Exact Mass303.03
IUPAC Name4-(4-chlorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylic acid
SMILESCc1nc2c(c(-c3ccc(Cl)cc3)c1C(=O)O)C(=O)OC2
InChIInChI=1S/C15H10ClNO4/c1-7-11(14(18)19)12(8-2-4-9(16)5-3-8)13-10(17-7)6-21-15(13)20/h2-5H,6H2,1H3,(H,18,19)
InChIKeyPZDRQYOTCWDFQM-UHFFFAOYSA-N
XLogP3.08
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylic acid (CID 151544448) is 4-(4-chlorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylic acid is Cc1nc2c(c(-c3ccc(Cl)cc3)c1C(=O)O)C(=O)OC2.
What is the InChIKey of 4-(4-chlorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylic acid?
The InChIKey is PZDRQYOTCWDFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO4/c1-7-11(14(18)19)12(8-2-4-9(16)5-3-8)13-10(17-7)6-21-15(13)20/h2-5H,6H2,1H3,(H,18,19).
What are the key properties of 4-(4-chlorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylic acid?
4-(4-chlorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylic acid has a molecular weight of 303.70 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 151544448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).