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

C19H16N2O2 — CID 162646873

IUPAC4-[6-amino-5-(4-methylphenyl)-3-pyridinyl]benzoic acid
SMILESCc1ccc(-c2cc(-c3ccc(C(=O)O)cc3)cnc2N)cc1
InChIInChI=1S/C19H16N2O2/c1-12-2-4-14(5-3-12)17-10-16(11-21-18(17)20)13-6-8-15(9-7-13)19(22)23/h2-11H,1H3,(H2,20,21)(H,22,23)
InChIKeyFIQWVTHFTDRJMB-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.00
Rot. Bonds3

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

4-[6-amino-5-(4-methylphenyl)-3-pyridinyl]benzoic acid (PubChem CID 162646873) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[6-amino-5-(4-methylphenyl)-3-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[6-amino-5-(4-methylphenyl)-3-pyridinyl]benzoic acid
PubChem CID162646873
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name4-[6-amino-5-(4-methylphenyl)-3-pyridinyl]benzoic acid
SMILESCc1ccc(-c2cc(-c3ccc(C(=O)O)cc3)cnc2N)cc1
InChIInChI=1S/C19H16N2O2/c1-12-2-4-14(5-3-12)17-10-16(11-21-18(17)20)13-6-8-15(9-7-13)19(22)23/h2-11H,1H3,(H2,20,21)(H,22,23)
InChIKeyFIQWVTHFTDRJMB-UHFFFAOYSA-N
XLogP4.00
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-(4-methylphenyl)-3-pyridinyl]benzoic acid?
The IUPAC name of 4-[6-amino-5-(4-methylphenyl)-3-pyridinyl]benzoic acid (CID 162646873) is 4-[6-amino-5-(4-methylphenyl)-3-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[6-amino-5-(4-methylphenyl)-3-pyridinyl]benzoic acid?
The canonical SMILES for 4-[6-amino-5-(4-methylphenyl)-3-pyridinyl]benzoic acid is Cc1ccc(-c2cc(-c3ccc(C(=O)O)cc3)cnc2N)cc1.
What is the InChIKey of 4-[6-amino-5-(4-methylphenyl)-3-pyridinyl]benzoic acid?
The InChIKey is FIQWVTHFTDRJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-12-2-4-14(5-3-12)17-10-16(11-21-18(17)20)13-6-8-15(9-7-13)19(22)23/h2-11H,1H3,(H2,20,21)(H,22,23).
What are the key properties of 4-[6-amino-5-(4-methylphenyl)-3-pyridinyl]benzoic acid?
4-[6-amino-5-(4-methylphenyl)-3-pyridinyl]benzoic acid has a molecular weight of 304.35 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-(4-methylphenyl)-3-pyridinyl]benzoic acid is sourced from PubChem (CID 162646873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).