methyl 2-[2-[2-(hydroxymethyl)-3-pyridinyl]-1-benzofuran-5-yl]acetate

C17H15NO4 — CID 71246886

IUPACmethyl 2-[2-[2-(hydroxymethyl)-3-pyridinyl]-1-benzofuran-5-yl]acetate
SMILESCOC(=O)Cc1ccc2oc(-c3cccnc3CO)cc2c1
InChIInChI=1S/C17H15NO4/c1-21-17(20)8-11-4-5-15-12(7-11)9-16(22-15)13-3-2-6-18-14(13)10-19/h2-7,9,19H,8,10H2,1H3
InChIKeyLSHLHOOCZTUMFU-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.70
Rot. Bonds4

About methyl 2-[2-[2-(hydroxymethyl)-3-pyridinyl]-1-benzofuran-5-yl]acetate

methyl 2-[2-[2-(hydroxymethyl)-3-pyridinyl]-1-benzofuran-5-yl]acetate (PubChem CID 71246886) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl 2-[2-[2-(hydroxymethyl)-3-pyridinyl]-1-benzofuran-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(hydroxymethyl)-3-pyridinyl]-1-benzofuran-5-yl]acetate
PubChem CID71246886
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Namemethyl 2-[2-[2-(hydroxymethyl)-3-pyridinyl]-1-benzofuran-5-yl]acetate
SMILESCOC(=O)Cc1ccc2oc(-c3cccnc3CO)cc2c1
InChIInChI=1S/C17H15NO4/c1-21-17(20)8-11-4-5-15-12(7-11)9-16(22-15)13-3-2-6-18-14(13)10-19/h2-7,9,19H,8,10H2,1H3
InChIKeyLSHLHOOCZTUMFU-UHFFFAOYSA-N
XLogP2.70
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-bromo-1-benzofuran-5-yl)acetate
CID 71247269
methyl 2-[2-(pyridine-4-carbonyl)-1-benzofuran-5-yl]acetate
CID 71246503
methyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate
CID 66912251
5-(2-methoxy-2-oxoethyl)-1,3-benzoxazole-2-carboxylic acid
CID 77231209
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556
methyl 2-[4-(6-bromo-5-methoxy-1-benzofuran-2-yl)phenyl]acetate
CID 71056255
methyl 3-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]propanoate
CID 23083078
methyl 2-quinazolin-6-ylacetate
CID 67429396
sodium 2,4-bis(2-methoxy-2-oxoethyl)phenolate
CID 162321881
methyl 4-(5-benzyl-1-benzofuran-2-yl)-3-methylbenzoate
CID 59595911
3-(1-benzofuran-2-yl)pyridine-2-carboxylic acid
CID 107525167
methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356382

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(hydroxymethyl)-3-pyridinyl]-1-benzofuran-5-yl]acetate?
The IUPAC name of methyl 2-[2-[2-(hydroxymethyl)-3-pyridinyl]-1-benzofuran-5-yl]acetate (CID 71246886) is methyl 2-[2-[2-(hydroxymethyl)-3-pyridinyl]-1-benzofuran-5-yl]acetate.
What is the SMILES notation for methyl 2-[2-[2-(hydroxymethyl)-3-pyridinyl]-1-benzofuran-5-yl]acetate?
The canonical SMILES for methyl 2-[2-[2-(hydroxymethyl)-3-pyridinyl]-1-benzofuran-5-yl]acetate is COC(=O)Cc1ccc2oc(-c3cccnc3CO)cc2c1.
What is the InChIKey of methyl 2-[2-[2-(hydroxymethyl)-3-pyridinyl]-1-benzofuran-5-yl]acetate?
The InChIKey is LSHLHOOCZTUMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-21-17(20)8-11-4-5-15-12(7-11)9-16(22-15)13-3-2-6-18-14(13)10-19/h2-7,9,19H,8,10H2,1H3.
What are the key properties of methyl 2-[2-[2-(hydroxymethyl)-3-pyridinyl]-1-benzofuran-5-yl]acetate?
methyl 2-[2-[2-(hydroxymethyl)-3-pyridinyl]-1-benzofuran-5-yl]acetate has a molecular weight of 297.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(hydroxymethyl)-3-pyridinyl]-1-benzofuran-5-yl]acetate is sourced from PubChem (CID 71246886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).