4-[6-amino-5-(phenoxymethyl)-3-pyridinyl]benzoic acid

C19H16N2O3 — CID 162651233

IUPAC4-[6-amino-5-(phenoxymethyl)-3-pyridinyl]benzoic acid
SMILESNc1ncc(-c2ccc(C(=O)O)cc2)cc1COc1ccccc1
InChIInChI=1S/C19H16N2O3/c20-18-16(12-24-17-4-2-1-3-5-17)10-15(11-21-18)13-6-8-14(9-7-13)19(22)23/h1-11H,12H2,(H2,20,21)(H,22,23)
InChIKeyGFBLZAKXJSFWDK-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.61
Rot. Bonds5

About 4-[6-amino-5-(phenoxymethyl)-3-pyridinyl]benzoic acid

4-[6-amino-5-(phenoxymethyl)-3-pyridinyl]benzoic acid (PubChem CID 162651233) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-[6-amino-5-(phenoxymethyl)-3-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[6-amino-5-(phenoxymethyl)-3-pyridinyl]benzoic acid
PubChem CID162651233
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name4-[6-amino-5-(phenoxymethyl)-3-pyridinyl]benzoic acid
SMILESNc1ncc(-c2ccc(C(=O)O)cc2)cc1COc1ccccc1
InChIInChI=1S/C19H16N2O3/c20-18-16(12-24-17-4-2-1-3-5-17)10-15(11-21-18)13-6-8-14(9-7-13)19(22)23/h1-11H,12H2,(H2,20,21)(H,22,23)
InChIKeyGFBLZAKXJSFWDK-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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-(phenoxymethyl)-3-pyridinyl]benzoic acid?
The IUPAC name of 4-[6-amino-5-(phenoxymethyl)-3-pyridinyl]benzoic acid (CID 162651233) is 4-[6-amino-5-(phenoxymethyl)-3-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[6-amino-5-(phenoxymethyl)-3-pyridinyl]benzoic acid?
The canonical SMILES for 4-[6-amino-5-(phenoxymethyl)-3-pyridinyl]benzoic acid is Nc1ncc(-c2ccc(C(=O)O)cc2)cc1COc1ccccc1.
What is the InChIKey of 4-[6-amino-5-(phenoxymethyl)-3-pyridinyl]benzoic acid?
The InChIKey is GFBLZAKXJSFWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c20-18-16(12-24-17-4-2-1-3-5-17)10-15(11-21-18)13-6-8-14(9-7-13)19(22)23/h1-11H,12H2,(H2,20,21)(H,22,23).
What are the key properties of 4-[6-amino-5-(phenoxymethyl)-3-pyridinyl]benzoic acid?
4-[6-amino-5-(phenoxymethyl)-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-(phenoxymethyl)-3-pyridinyl]benzoic acid is sourced from PubChem (CID 162651233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).