4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid

C19H16N2O3 — CID 21111459

IUPAC4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid
SMILESNc1ncc(-c2ccc(C(=O)O)cc2)cc1OCc1ccccc1
InChIInChI=1S/C19H16N2O3/c20-18-17(24-12-13-4-2-1-3-5-13)10-16(11-21-18)14-6-8-15(9-7-14)19(22)23/h1-11H,12H2,(H2,20,21)(H,22,23)
InChIKeyQPPKQHCOWKQUMH-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.61
Rot. Bonds5

About 4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid

4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid (PubChem CID 21111459) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid.

Molecular Properties

Compound Name4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid
PubChem CID21111459
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid
SMILESNc1ncc(-c2ccc(C(=O)O)cc2)cc1OCc1ccccc1
InChIInChI=1S/C19H16N2O3/c20-18-17(24-12-13-4-2-1-3-5-13)10-16(11-21-18)14-6-8-15(9-7-14)19(22)23/h1-11H,12H2,(H2,20,21)(H,22,23)
InChIKeyQPPKQHCOWKQUMH-UHFFFAOYSA-N
XLogP3.61
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid?
The IUPAC name of 4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid (CID 21111459) is 4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid.
What is the SMILES notation for 4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid?
The canonical SMILES for 4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid is Nc1ncc(-c2ccc(C(=O)O)cc2)cc1OCc1ccccc1.
What is the InChIKey of 4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid?
The InChIKey is QPPKQHCOWKQUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c20-18-17(24-12-13-4-2-1-3-5-13)10-16(11-21-18)14-6-8-15(9-7-14)19(22)23/h1-11H,12H2,(H2,20,21)(H,22,23).
What are the key properties of 4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid?
4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid has a molecular weight of 320.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid is sourced from PubChem (CID 21111459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).