2-aminobenzoic acid;4-phenylpyridine

C18H16N2O2 — CID 139196914

IUPAC2-aminobenzoic acid;4-phenylpyridine
SMILESNc1ccccc1C(=O)O.c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C11H9N.C7H7NO2/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;8-6-4-2-1-3-5(6)7(9)10/h1-9H;1-4H,8H2,(H,9,10)
InChIKeyUQTOMGBUMFDDSJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.72
Rot. Bonds2

About 2-aminobenzoic acid;4-phenylpyridine

2-aminobenzoic acid;4-phenylpyridine (PubChem CID 139196914) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-aminobenzoic acid;4-phenylpyridine.

Molecular Properties

Compound Name2-aminobenzoic acid;4-phenylpyridine
PubChem CID139196914
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-aminobenzoic acid;4-phenylpyridine
SMILESNc1ccccc1C(=O)O.c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C11H9N.C7H7NO2/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;8-6-4-2-1-3-5(6)7(9)10/h1-9H;1-4H,8H2,(H,9,10)
InChIKeyUQTOMGBUMFDDSJ-UHFFFAOYSA-N
XLogP3.72
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminobenzoic acid;4-phenylpyridine?
The IUPAC name of 2-aminobenzoic acid;4-phenylpyridine (CID 139196914) is 2-aminobenzoic acid;4-phenylpyridine.
What is the SMILES notation for 2-aminobenzoic acid;4-phenylpyridine?
The canonical SMILES for 2-aminobenzoic acid;4-phenylpyridine is Nc1ccccc1C(=O)O.c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 2-aminobenzoic acid;4-phenylpyridine?
The InChIKey is UQTOMGBUMFDDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N.C7H7NO2/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;8-6-4-2-1-3-5(6)7(9)10/h1-9H;1-4H,8H2,(H,9,10).
What are the key properties of 2-aminobenzoic acid;4-phenylpyridine?
2-aminobenzoic acid;4-phenylpyridine has a molecular weight of 292.34 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzoic acid;4-phenylpyridine is sourced from PubChem (CID 139196914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).