5-(6-methoxy-3-pyridinyl)benzo[g][1]benzofuran-2-carboxylic acid

C19H13NO4 — CID 142713735

IUPAC5-(6-methoxy-3-pyridinyl)benzo[g][1]benzofuran-2-carboxylic acid
SMILESCOc1ccc(-c2cc3cc(C(=O)O)oc3c3ccccc23)cn1
InChIInChI=1S/C19H13NO4/c1-23-17-7-6-11(10-20-17)15-8-12-9-16(19(21)22)24-18(12)14-5-3-2-4-13(14)15/h2-10H,1H3,(H,21,22)
InChIKeyQTCBBHGQNKQKBF-UHFFFAOYSA-N
MW319.32 g/mol
LogP4.35
Rot. Bonds3

About 5-(6-methoxy-3-pyridinyl)benzo[g][1]benzofuran-2-carboxylic acid

5-(6-methoxy-3-pyridinyl)benzo[g][1]benzofuran-2-carboxylic acid (PubChem CID 142713735) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 5-(6-methoxy-3-pyridinyl)benzo[g][1]benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-(6-methoxy-3-pyridinyl)benzo[g][1]benzofuran-2-carboxylic acid
PubChem CID142713735
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name5-(6-methoxy-3-pyridinyl)benzo[g][1]benzofuran-2-carboxylic acid
SMILESCOc1ccc(-c2cc3cc(C(=O)O)oc3c3ccccc23)cn1
InChIInChI=1S/C19H13NO4/c1-23-17-7-6-11(10-20-17)15-8-12-9-16(19(21)22)24-18(12)14-5-3-2-4-13(14)15/h2-10H,1H3,(H,21,22)
InChIKeyQTCBBHGQNKQKBF-UHFFFAOYSA-N
XLogP4.35
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-4-(6-methoxy-3-pyridinyl)benzoic acid
CID 114103385
5-(4-phenylphenyl)furo[2,3-b]pyridine-2-carboxylic acid
CID 155391838
2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 68770175
1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone
CID 114725771
2-(6-methoxy-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 114937601
6-(6-methoxy-3-pyridinyl)-2,4-dimethylpyridine-3-carboxylic acid
CID 163318387
2-(6-methoxy-3-pyridinyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725776
[4-(6-methoxy-3-pyridinyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
CID 129160769
methyl 8-(6-methoxy-3-pyridinyl)naphthalene-2-carboxylate
CID 58553628
5-(6-methoxy-3-pyridinyl)-N,N-dimethylfuran-2-carboxamide
CID 121498410
2-[2-hydroxy-5-(6-methoxy-3-pyridinyl)phenyl]-3H-quinazolin-4-one
CID 168553345
4-(6-methoxy-3-pyridinyl)-5-pyridin-3-yl-1,3-oxazole-2-carboxylic acid
CID 23110249

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-3-pyridinyl)benzo[g][1]benzofuran-2-carboxylic acid?
The IUPAC name of 5-(6-methoxy-3-pyridinyl)benzo[g][1]benzofuran-2-carboxylic acid (CID 142713735) is 5-(6-methoxy-3-pyridinyl)benzo[g][1]benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-(6-methoxy-3-pyridinyl)benzo[g][1]benzofuran-2-carboxylic acid?
The canonical SMILES for 5-(6-methoxy-3-pyridinyl)benzo[g][1]benzofuran-2-carboxylic acid is COc1ccc(-c2cc3cc(C(=O)O)oc3c3ccccc23)cn1.
What is the InChIKey of 5-(6-methoxy-3-pyridinyl)benzo[g][1]benzofuran-2-carboxylic acid?
The InChIKey is QTCBBHGQNKQKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4/c1-23-17-7-6-11(10-20-17)15-8-12-9-16(19(21)22)24-18(12)14-5-3-2-4-13(14)15/h2-10H,1H3,(H,21,22).
What are the key properties of 5-(6-methoxy-3-pyridinyl)benzo[g][1]benzofuran-2-carboxylic acid?
5-(6-methoxy-3-pyridinyl)benzo[g][1]benzofuran-2-carboxylic acid has a molecular weight of 319.32 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-3-pyridinyl)benzo[g][1]benzofuran-2-carboxylic acid is sourced from PubChem (CID 142713735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).