6-(2-chloro-4-methylanilino)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylic acid

C16H13ClN2O4 — CID 142284829

IUPAC6-(2-chloro-4-methylanilino)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylic acid
SMILESCc1ccc(Nc2c(C(=O)O)c3occc3c(=O)n2C)c(Cl)c1
InChIInChI=1S/C16H13ClN2O4/c1-8-3-4-11(10(17)7-8)18-14-12(16(21)22)13-9(5-6-23-13)15(20)19(14)2/h3-7,18H,1-2H3,(H,21,22)
InChIKeyDVCWYDSQPVVTML-UHFFFAOYSA-N
MW332.74 g/mol
LogP3.54
Rot. Bonds3

About 6-(2-chloro-4-methylanilino)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylic acid

6-(2-chloro-4-methylanilino)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylic acid (PubChem CID 142284829) has the molecular formula C16H13ClN2O4 and a molecular weight of 332.74 g/mol. Its IUPAC name is 6-(2-chloro-4-methylanilino)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-(2-chloro-4-methylanilino)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylic acid
PubChem CID142284829
Molecular FormulaC16H13ClN2O4
Molecular Weight332.74 g/mol
Exact Mass332.06
IUPAC Name6-(2-chloro-4-methylanilino)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylic acid
SMILESCc1ccc(Nc2c(C(=O)O)c3occc3c(=O)n2C)c(Cl)c1
InChIInChI=1S/C16H13ClN2O4/c1-8-3-4-11(10(17)7-8)18-14-12(16(21)22)13-9(5-6-23-13)15(20)19(14)2/h3-7,18H,1-2H3,(H,21,22)
InChIKeyDVCWYDSQPVVTML-UHFFFAOYSA-N
XLogP3.54
TPSA84.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 123636689
6-(2-fluoro-4-iodoanilino)-N-(2-methoxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 86712551
3-chloro-N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]propane-1-sulfinamide
CID 91072184
N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfinamide
CID 90863966
2-amino-6-(2-chloro-4-methylanilino)-3-fluorobenzoic acid
CID 83215891
6-(2-fluoro-4-methylanilino)-2,5-dimethyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid
CID 126592205
2,5-bis(2-chloro-4-methylanilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid
CID 18970388
5-acetyl-4-chloro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylic acid;ethane
CID 143666924
N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-prop-2-enylcyclopropane-1-sulfinamide
CID 90944160
N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfinamide
CID 91057852
(E)-3-(2-chloro-4-methylanilino)prop-2-enoic acid
CID 103236417
5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid
CID 28967987

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-methylanilino)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylic acid?
The IUPAC name of 6-(2-chloro-4-methylanilino)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylic acid (CID 142284829) is 6-(2-chloro-4-methylanilino)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-(2-chloro-4-methylanilino)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylic acid?
The canonical SMILES for 6-(2-chloro-4-methylanilino)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylic acid is Cc1ccc(Nc2c(C(=O)O)c3occc3c(=O)n2C)c(Cl)c1.
What is the InChIKey of 6-(2-chloro-4-methylanilino)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylic acid?
The InChIKey is DVCWYDSQPVVTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O4/c1-8-3-4-11(10(17)7-8)18-14-12(16(21)22)13-9(5-6-23-13)15(20)19(14)2/h3-7,18H,1-2H3,(H,21,22).
What are the key properties of 6-(2-chloro-4-methylanilino)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylic acid?
6-(2-chloro-4-methylanilino)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylic acid has a molecular weight of 332.74 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-methylanilino)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 142284829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).