2-[4-(pyridin-2-ylamino)phenyl]acetic acid

C13H12N2O2 — CID 13054250

IUPAC2-[4-(pyridin-2-ylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C13H12N2O2/c16-13(17)9-10-4-6-11(7-5-10)15-12-3-1-2-8-14-12/h1-8H,9H2,(H,14,15)(H,16,17)
InChIKeyXJOSNLUKYXFOGZ-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.45
Rot. Bonds4

About 2-[4-(pyridin-2-ylamino)phenyl]acetic acid

2-[4-(pyridin-2-ylamino)phenyl]acetic acid (PubChem CID 13054250) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[4-(pyridin-2-ylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(pyridin-2-ylamino)phenyl]acetic acid
PubChem CID13054250
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-[4-(pyridin-2-ylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C13H12N2O2/c16-13(17)9-10-4-6-11(7-5-10)15-12-3-1-2-8-14-12/h1-8H,9H2,(H,14,15)(H,16,17)
InChIKeyXJOSNLUKYXFOGZ-UHFFFAOYSA-N
XLogP2.45
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-2-ylamino)phenyl]acetic acid?
The IUPAC name of 2-[4-(pyridin-2-ylamino)phenyl]acetic acid (CID 13054250) is 2-[4-(pyridin-2-ylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(pyridin-2-ylamino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(pyridin-2-ylamino)phenyl]acetic acid is O=C(O)Cc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of 2-[4-(pyridin-2-ylamino)phenyl]acetic acid?
The InChIKey is XJOSNLUKYXFOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-13(17)9-10-4-6-11(7-5-10)15-12-3-1-2-8-14-12/h1-8H,9H2,(H,14,15)(H,16,17).
What are the key properties of 2-[4-(pyridin-2-ylamino)phenyl]acetic acid?
2-[4-(pyridin-2-ylamino)phenyl]acetic acid has a molecular weight of 228.25 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-2-ylamino)phenyl]acetic acid is sourced from PubChem (CID 13054250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).