(2-aminopyridin-1-ium-1-yl) 2-hydroxybenzoate

C12H11N2O3+ — CID 91166462

IUPAC(2-aminopyridin-1-ium-1-yl) 2-hydroxybenzoate
SMILESNc1cccc[n+]1OC(=O)c1ccccc1O
InChIInChI=1S/C12H10N2O3/c13-11-7-3-4-8-14(11)17-12(16)9-5-1-2-6-10(9)15/h1-8,13H,(H,15,16)/p+1
InChIKeyJUWAZWSPRSCSAY-UHFFFAOYSA-O
MW231.23 g/mol
LogP0.53
Rot. Bonds2

About (2-aminopyridin-1-ium-1-yl) 2-hydroxybenzoate

(2-aminopyridin-1-ium-1-yl) 2-hydroxybenzoate (PubChem CID 91166462) has the molecular formula C12H11N2O3+ and a molecular weight of 231.23 g/mol. Its IUPAC name is (2-aminopyridin-1-ium-1-yl) 2-hydroxybenzoate.

Molecular Properties

Compound Name(2-aminopyridin-1-ium-1-yl) 2-hydroxybenzoate
PubChem CID91166462
Molecular FormulaC12H11N2O3+
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name(2-aminopyridin-1-ium-1-yl) 2-hydroxybenzoate
SMILESNc1cccc[n+]1OC(=O)c1ccccc1O
InChIInChI=1S/C12H10N2O3/c13-11-7-3-4-8-14(11)17-12(16)9-5-1-2-6-10(9)15/h1-8,13H,(H,15,16)/p+1
InChIKeyJUWAZWSPRSCSAY-UHFFFAOYSA-O
XLogP0.53
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-aminopyridin-1-ium-1-yl) 2-hydroxybenzoate?
The IUPAC name of (2-aminopyridin-1-ium-1-yl) 2-hydroxybenzoate (CID 91166462) is (2-aminopyridin-1-ium-1-yl) 2-hydroxybenzoate.
What is the SMILES notation for (2-aminopyridin-1-ium-1-yl) 2-hydroxybenzoate?
The canonical SMILES for (2-aminopyridin-1-ium-1-yl) 2-hydroxybenzoate is Nc1cccc[n+]1OC(=O)c1ccccc1O.
What is the InChIKey of (2-aminopyridin-1-ium-1-yl) 2-hydroxybenzoate?
The InChIKey is JUWAZWSPRSCSAY-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H10N2O3/c13-11-7-3-4-8-14(11)17-12(16)9-5-1-2-6-10(9)15/h1-8,13H,(H,15,16)/p+1.
What are the key properties of (2-aminopyridin-1-ium-1-yl) 2-hydroxybenzoate?
(2-aminopyridin-1-ium-1-yl) 2-hydroxybenzoate has a molecular weight of 231.23 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminopyridin-1-ium-1-yl) 2-hydroxybenzoate is sourced from PubChem (CID 91166462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).