2-(3,4-dipyridin-4-ylphenyl)-2-hydroxyacetic acid

C18H14N2O3 — CID 46316585

IUPAC2-(3,4-dipyridin-4-ylphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(-c2ccncc2)c(-c2ccncc2)c1
InChIInChI=1S/C18H14N2O3/c21-17(18(22)23)14-1-2-15(12-3-7-19-8-4-12)16(11-14)13-5-9-20-10-6-13/h1-11,17,21H,(H,22,23)
InChIKeyYAVQZQFFDSYZCA-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.93
Rot. Bonds4

About 2-(3,4-dipyridin-4-ylphenyl)-2-hydroxyacetic acid

2-(3,4-dipyridin-4-ylphenyl)-2-hydroxyacetic acid (PubChem CID 46316585) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-(3,4-dipyridin-4-ylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3,4-dipyridin-4-ylphenyl)-2-hydroxyacetic acid
PubChem CID46316585
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name2-(3,4-dipyridin-4-ylphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(-c2ccncc2)c(-c2ccncc2)c1
InChIInChI=1S/C18H14N2O3/c21-17(18(22)23)14-1-2-15(12-3-7-19-8-4-12)16(11-14)13-5-9-20-10-6-13/h1-11,17,21H,(H,22,23)
InChIKeyYAVQZQFFDSYZCA-UHFFFAOYSA-N
XLogP2.93
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dipyridin-4-ylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3,4-dipyridin-4-ylphenyl)-2-hydroxyacetic acid (CID 46316585) is 2-(3,4-dipyridin-4-ylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3,4-dipyridin-4-ylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3,4-dipyridin-4-ylphenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(-c2ccncc2)c(-c2ccncc2)c1.
What is the InChIKey of 2-(3,4-dipyridin-4-ylphenyl)-2-hydroxyacetic acid?
The InChIKey is YAVQZQFFDSYZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-17(18(22)23)14-1-2-15(12-3-7-19-8-4-12)16(11-14)13-5-9-20-10-6-13/h1-11,17,21H,(H,22,23).
What are the key properties of 2-(3,4-dipyridin-4-ylphenyl)-2-hydroxyacetic acid?
2-(3,4-dipyridin-4-ylphenyl)-2-hydroxyacetic acid has a molecular weight of 306.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dipyridin-4-ylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 46316585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).