2-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]acetic acid

C14H10N2O3 — CID 82381604

IUPAC2-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(-c2cc3ccccc3o2)nc1
InChIInChI=1S/C14H10N2O3/c17-13(18)5-9-7-15-14(16-8-9)12-6-10-3-1-2-4-11(10)19-12/h1-4,6-8H,5H2,(H,17,18)
InChIKeyAPLBVMULAJIIPG-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.52
Rot. Bonds3

About 2-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]acetic acid

2-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]acetic acid (PubChem CID 82381604) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]acetic acid
PubChem CID82381604
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name2-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(-c2cc3ccccc3o2)nc1
InChIInChI=1S/C14H10N2O3/c17-13(18)5-9-7-15-14(16-8-9)12-6-10-3-1-2-4-11(10)19-12/h1-4,6-8H,5H2,(H,17,18)
InChIKeyAPLBVMULAJIIPG-UHFFFAOYSA-N
XLogP2.52
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]butan-2-amine
CID 63089399
3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-one
CID 63344525
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
4-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344483
2-[2-(2,4,6-trichlorophenyl)pyrimidin-5-yl]acetic acid
CID 118824949
3-(1-benzofuran-2-yl)pyridine-2-carboxylic acid
CID 107525167
2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine
CID 176645637
2-oxochromene-3-carboxylic acid
CID 161011590
1-[2-(1-benzofuran-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 63090960
2-[(2-oxochromen-3-yl)amino]oxyacetic acid
CID 88789261
1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone
CID 114725771
5-(1-benzofuran-2-yl)furan-2-carboxamide
CID 90769310

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]acetic acid (CID 82381604) is 2-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]acetic acid is O=C(O)Cc1cnc(-c2cc3ccccc3o2)nc1.
What is the InChIKey of 2-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]acetic acid?
The InChIKey is APLBVMULAJIIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-13(18)5-9-7-15-14(16-8-9)12-6-10-3-1-2-4-11(10)19-12/h1-4,6-8H,5H2,(H,17,18).
What are the key properties of 2-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]acetic acid?
2-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]acetic acid has a molecular weight of 254.25 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 82381604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).