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

C15H10ClNO4 — CID 70241521

IUPAC4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylic acid
SMILESCc1nc2c(c(-c3ccc(Cl)cc3)c1C(=O)O)COC2=O
InChIInChI=1S/C15H10ClNO4/c1-7-11(14(18)19)12(8-2-4-9(16)5-3-8)10-6-21-15(20)13(10)17-7/h2-5H,6H2,1H3,(H,18,19)
InChIKeyDXRIXMREAGPZGP-UHFFFAOYSA-N
MW303.70 g/mol
LogP3.08
Rot. Bonds2

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

4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylic acid (PubChem CID 70241521) has the molecular formula C15H10ClNO4 and a molecular weight of 303.70 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylic acid
PubChem CID70241521
Molecular FormulaC15H10ClNO4
Molecular Weight303.70 g/mol
Exact Mass303.03
IUPAC Name4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylic acid
SMILESCc1nc2c(c(-c3ccc(Cl)cc3)c1C(=O)O)COC2=O
InChIInChI=1S/C15H10ClNO4/c1-7-11(14(18)19)12(8-2-4-9(16)5-3-8)10-6-21-15(20)13(10)17-7/h2-5H,6H2,1H3,(H,18,19)
InChIKeyDXRIXMREAGPZGP-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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Related Compounds

methyl 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylate
CID 21255233
4-(4-chlorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylic acid
CID 151544448
[4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridin-3-yl] methyl carbonate
CID 67695537
6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
6,8-dichloro-3-(4-chlorophenyl)-2-methylquinoline-4-carboxylic acid
CID 632567
4,7-dimethyl-6-phenyl-1H-furo[3,4-c]pyridin-3-one
CID 135067385
2-(3,5-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 114015723
5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine
CID 13046106
8-(4-chlorophenyl)-6-methylquinoline-7-carboxylic acid
CID 150999301
6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 121205087
5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid
CID 69141126
2,7,7-trimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carboxylic acid
CID 778088

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylic acid (CID 70241521) is 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylic acid is Cc1nc2c(c(-c3ccc(Cl)cc3)c1C(=O)O)COC2=O.
What is the InChIKey of 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylic acid?
The InChIKey is DXRIXMREAGPZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO4/c1-7-11(14(18)19)12(8-2-4-9(16)5-3-8)10-6-21-15(20)13(10)17-7/h2-5H,6H2,1H3,(H,18,19).
What are the key properties of 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylic acid?
4-(4-chlorophenyl)-2-methyl-7-oxo-5H-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-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 70241521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).