2-[(4-amino-3-pyridinyl)oxy]benzoic acid

C12H10N2O3 — CID 22164896

IUPAC2-[(4-amino-3-pyridinyl)oxy]benzoic acid
SMILESNc1ccncc1Oc1ccccc1C(=O)O
InChIInChI=1S/C12H10N2O3/c13-9-5-6-14-7-11(9)17-10-4-2-1-3-8(10)12(15)16/h1-7H,(H2,13,14)(H,15,16)
InChIKeyBYCTWSWWSCCFPF-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.15
Rot. Bonds3

About 2-[(4-amino-3-pyridinyl)oxy]benzoic acid

2-[(4-amino-3-pyridinyl)oxy]benzoic acid (PubChem CID 22164896) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-[(4-amino-3-pyridinyl)oxy]benzoic acid.

Molecular Properties

Compound Name2-[(4-amino-3-pyridinyl)oxy]benzoic acid
PubChem CID22164896
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2-[(4-amino-3-pyridinyl)oxy]benzoic acid
SMILESNc1ccncc1Oc1ccccc1C(=O)O
InChIInChI=1S/C12H10N2O3/c13-9-5-6-14-7-11(9)17-10-4-2-1-3-8(10)12(15)16/h1-7H,(H2,13,14)(H,15,16)
InChIKeyBYCTWSWWSCCFPF-UHFFFAOYSA-N
XLogP2.15
TPSA85.44 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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-pyridinyl)oxy]benzoic acid?
The IUPAC name of 2-[(4-amino-3-pyridinyl)oxy]benzoic acid (CID 22164896) is 2-[(4-amino-3-pyridinyl)oxy]benzoic acid.
What is the SMILES notation for 2-[(4-amino-3-pyridinyl)oxy]benzoic acid?
The canonical SMILES for 2-[(4-amino-3-pyridinyl)oxy]benzoic acid is Nc1ccncc1Oc1ccccc1C(=O)O.
What is the InChIKey of 2-[(4-amino-3-pyridinyl)oxy]benzoic acid?
The InChIKey is BYCTWSWWSCCFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c13-9-5-6-14-7-11(9)17-10-4-2-1-3-8(10)12(15)16/h1-7H,(H2,13,14)(H,15,16).
What are the key properties of 2-[(4-amino-3-pyridinyl)oxy]benzoic acid?
2-[(4-amino-3-pyridinyl)oxy]benzoic acid has a molecular weight of 230.22 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-pyridinyl)oxy]benzoic acid is sourced from PubChem (CID 22164896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).