2-[4-(3-hydroxyphenyl)pyrimidin-5-yl]acetic acid

C12H10N2O3 — CID 105487587

IUPAC2-[4-(3-hydroxyphenyl)pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1cncnc1-c1cccc(O)c1
InChIInChI=1S/C12H10N2O3/c15-10-3-1-2-8(4-10)12-9(5-11(16)17)6-13-7-14-12/h1-4,6-7,15H,5H2,(H,16,17)
InChIKeyGGSTXPXNDZPPHN-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.48
Rot. Bonds3

About 2-[4-(3-hydroxyphenyl)pyrimidin-5-yl]acetic acid

2-[4-(3-hydroxyphenyl)pyrimidin-5-yl]acetic acid (PubChem CID 105487587) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-[4-(3-hydroxyphenyl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-hydroxyphenyl)pyrimidin-5-yl]acetic acid
PubChem CID105487587
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2-[4-(3-hydroxyphenyl)pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1cncnc1-c1cccc(O)c1
InChIInChI=1S/C12H10N2O3/c15-10-3-1-2-8(4-10)12-9(5-11(16)17)6-13-7-14-12/h1-4,6-7,15H,5H2,(H,16,17)
InChIKeyGGSTXPXNDZPPHN-UHFFFAOYSA-N
XLogP1.48
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxyphenyl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4-(3-hydroxyphenyl)pyrimidin-5-yl]acetic acid (CID 105487587) is 2-[4-(3-hydroxyphenyl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-hydroxyphenyl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4-(3-hydroxyphenyl)pyrimidin-5-yl]acetic acid is O=C(O)Cc1cncnc1-c1cccc(O)c1.
What is the InChIKey of 2-[4-(3-hydroxyphenyl)pyrimidin-5-yl]acetic acid?
The InChIKey is GGSTXPXNDZPPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-10-3-1-2-8(4-10)12-9(5-11(16)17)6-13-7-14-12/h1-4,6-7,15H,5H2,(H,16,17).
What are the key properties of 2-[4-(3-hydroxyphenyl)pyrimidin-5-yl]acetic acid?
2-[4-(3-hydroxyphenyl)pyrimidin-5-yl]acetic acid has a molecular weight of 230.22 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxyphenyl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 105487587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).