methyl 2-[2-(pyridine-4-carbonyl)-1-benzofuran-5-yl]acetate

C17H13NO4 — CID 71246503

IUPACmethyl 2-[2-(pyridine-4-carbonyl)-1-benzofuran-5-yl]acetate
SMILESCOC(=O)Cc1ccc2oc(C(=O)c3ccncc3)cc2c1
InChIInChI=1S/C17H13NO4/c1-21-16(19)9-11-2-3-14-13(8-11)10-15(22-14)17(20)12-4-6-18-7-5-12/h2-8,10H,9H2,1H3
InChIKeyHDFSJLUAPQXSHA-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.77
Rot. Bonds4

About methyl 2-[2-(pyridine-4-carbonyl)-1-benzofuran-5-yl]acetate

methyl 2-[2-(pyridine-4-carbonyl)-1-benzofuran-5-yl]acetate (PubChem CID 71246503) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is methyl 2-[2-(pyridine-4-carbonyl)-1-benzofuran-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(pyridine-4-carbonyl)-1-benzofuran-5-yl]acetate
PubChem CID71246503
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Namemethyl 2-[2-(pyridine-4-carbonyl)-1-benzofuran-5-yl]acetate
SMILESCOC(=O)Cc1ccc2oc(C(=O)c3ccncc3)cc2c1
InChIInChI=1S/C17H13NO4/c1-21-16(19)9-11-2-3-14-13(8-11)10-15(22-14)17(20)12-4-6-18-7-5-12/h2-8,10H,9H2,1H3
InChIKeyHDFSJLUAPQXSHA-UHFFFAOYSA-N
XLogP2.77
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-bromo-1-benzofuran-5-yl)acetate
CID 71247269
2-[2-(3-methylpyridine-4-carbonyl)-1-benzofuran-5-yl]acetic acid
CID 71247266
methyl 2-[2-[2-(hydroxymethyl)-3-pyridinyl]-1-benzofuran-5-yl]acetate
CID 71246886
N-[2-(pyridine-4-carbonyl)-1-benzofuran-6-yl]acetamide
CID 140967943
methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate
CID 170871861
methyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate
CID 66912251
methyl 5-ethyl-1-benzofuran-2-carboxylate
CID 121014658
5-(2-methoxy-2-oxoethyl)-1,3-benzoxazole-2-carboxylic acid
CID 77231209
methyl 2-quinazolin-6-ylacetate
CID 67429396
5-[(2-methoxy-2-oxoethyl)sulfonylmethyl]-1-benzofuran-2-carboxylic acid
CID 65293754
methyl 2-(2-sulfamoyl-1,3-benzoxazol-6-yl)acetate
CID 165353850
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797594

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(pyridine-4-carbonyl)-1-benzofuran-5-yl]acetate?
The IUPAC name of methyl 2-[2-(pyridine-4-carbonyl)-1-benzofuran-5-yl]acetate (CID 71246503) is methyl 2-[2-(pyridine-4-carbonyl)-1-benzofuran-5-yl]acetate.
What is the SMILES notation for methyl 2-[2-(pyridine-4-carbonyl)-1-benzofuran-5-yl]acetate?
The canonical SMILES for methyl 2-[2-(pyridine-4-carbonyl)-1-benzofuran-5-yl]acetate is COC(=O)Cc1ccc2oc(C(=O)c3ccncc3)cc2c1.
What is the InChIKey of methyl 2-[2-(pyridine-4-carbonyl)-1-benzofuran-5-yl]acetate?
The InChIKey is HDFSJLUAPQXSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-21-16(19)9-11-2-3-14-13(8-11)10-15(22-14)17(20)12-4-6-18-7-5-12/h2-8,10H,9H2,1H3.
What are the key properties of methyl 2-[2-(pyridine-4-carbonyl)-1-benzofuran-5-yl]acetate?
methyl 2-[2-(pyridine-4-carbonyl)-1-benzofuran-5-yl]acetate has a molecular weight of 295.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(pyridine-4-carbonyl)-1-benzofuran-5-yl]acetate is sourced from PubChem (CID 71246503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).