2-acetyl-7-methoxyfuro[2,3-c]pyridine-4-carboxylic acid

C11H9NO5 — CID 22112799

IUPAC2-acetyl-7-methoxyfuro[2,3-c]pyridine-4-carboxylic acid
SMILESCOc1ncc(C(=O)O)c2cc(C(C)=O)oc12
InChIInChI=1S/C11H9NO5/c1-5(13)8-3-6-7(11(14)15)4-12-10(16-2)9(6)17-8/h3-4H,1-2H3,(H,14,15)
InChIKeyUUZUZXKIHFCSMM-UHFFFAOYSA-N
MW235.19 g/mol
LogP1.74
Rot. Bonds3

About 2-acetyl-7-methoxyfuro[2,3-c]pyridine-4-carboxylic acid

2-acetyl-7-methoxyfuro[2,3-c]pyridine-4-carboxylic acid (PubChem CID 22112799) has the molecular formula C11H9NO5 and a molecular weight of 235.19 g/mol. Its IUPAC name is 2-acetyl-7-methoxyfuro[2,3-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-acetyl-7-methoxyfuro[2,3-c]pyridine-4-carboxylic acid
PubChem CID22112799
Molecular FormulaC11H9NO5
Molecular Weight235.19 g/mol
Exact Mass235.05
IUPAC Name2-acetyl-7-methoxyfuro[2,3-c]pyridine-4-carboxylic acid
SMILESCOc1ncc(C(=O)O)c2cc(C(C)=O)oc12
InChIInChI=1S/C11H9NO5/c1-5(13)8-3-6-7(11(14)15)4-12-10(16-2)9(6)17-8/h3-4H,1-2H3,(H,14,15)
InChIKeyUUZUZXKIHFCSMM-UHFFFAOYSA-N
XLogP1.74
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-2-(1-oxidopyridin-1-ium-3-yl)furo[2,3-c]pyridine-4-carboxylic acid
CID 22112802
7-methoxy-2-[4-(methoxymethyl)piperidin-4-yl]furo[2,3-c]pyridine-4-carboxylic acid
CID 57077068
1,7-dimethoxyisoquinoline-4-carboxylic acid
CID 84696458
6-ethyl-1-methoxyisoquinoline-4-carboxylic acid
CID 84694428
5-hydroxy-1-methoxyisoquinoline-4-carboxylic acid
CID 84684367
2-ethyl-7-methoxy-N-(2,4,6-trifluorophenyl)furo[2,3-c]pyridine-4-carboxamide
CID 86756189
6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134668164
7-acetyl-4-methoxy-1-benzofuran-2-carboxamide
CID 13258186
5-[(1S)-1-aminoethyl]-2-methoxypyridine-3-carboxylic acid
CID 130735023
5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53223784
1-(5-hydroxy-6-methoxy-3-pyridinyl)ethanone
CID 89468960
5,6-dimethoxypyridine-3-carboxylic acid
CID 12563086

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-7-methoxyfuro[2,3-c]pyridine-4-carboxylic acid?
The IUPAC name of 2-acetyl-7-methoxyfuro[2,3-c]pyridine-4-carboxylic acid (CID 22112799) is 2-acetyl-7-methoxyfuro[2,3-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-acetyl-7-methoxyfuro[2,3-c]pyridine-4-carboxylic acid?
The canonical SMILES for 2-acetyl-7-methoxyfuro[2,3-c]pyridine-4-carboxylic acid is COc1ncc(C(=O)O)c2cc(C(C)=O)oc12.
What is the InChIKey of 2-acetyl-7-methoxyfuro[2,3-c]pyridine-4-carboxylic acid?
The InChIKey is UUZUZXKIHFCSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO5/c1-5(13)8-3-6-7(11(14)15)4-12-10(16-2)9(6)17-8/h3-4H,1-2H3,(H,14,15).
What are the key properties of 2-acetyl-7-methoxyfuro[2,3-c]pyridine-4-carboxylic acid?
2-acetyl-7-methoxyfuro[2,3-c]pyridine-4-carboxylic acid has a molecular weight of 235.19 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-7-methoxyfuro[2,3-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 22112799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).