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

C18H14N2O2 — CID 162669494

IUPAC4-(6-amino-5-phenyl-3-pyridinyl)benzoic acid
SMILESNc1ncc(-c2ccc(C(=O)O)cc2)cc1-c1ccccc1
InChIInChI=1S/C18H14N2O2/c19-17-16(13-4-2-1-3-5-13)10-15(11-20-17)12-6-8-14(9-7-12)18(21)22/h1-11H,(H2,19,20)(H,21,22)
InChIKeyHMORBYIUCSXLFR-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.70
Rot. Bonds3

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

4-(6-amino-5-phenyl-3-pyridinyl)benzoic acid (PubChem CID 162669494) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(6-amino-5-phenyl-3-pyridinyl)benzoic acid.

Molecular Properties

Compound Name4-(6-amino-5-phenyl-3-pyridinyl)benzoic acid
PubChem CID162669494
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name4-(6-amino-5-phenyl-3-pyridinyl)benzoic acid
SMILESNc1ncc(-c2ccc(C(=O)O)cc2)cc1-c1ccccc1
InChIInChI=1S/C18H14N2O2/c19-17-16(13-4-2-1-3-5-13)10-15(11-20-17)12-6-8-14(9-7-12)18(21)22/h1-11H,(H2,19,20)(H,21,22)
InChIKeyHMORBYIUCSXLFR-UHFFFAOYSA-N
XLogP3.70
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.70
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-phenyl-3-pyridinyl)benzoic acid?
The IUPAC name of 4-(6-amino-5-phenyl-3-pyridinyl)benzoic acid (CID 162669494) is 4-(6-amino-5-phenyl-3-pyridinyl)benzoic acid.
What is the SMILES notation for 4-(6-amino-5-phenyl-3-pyridinyl)benzoic acid?
The canonical SMILES for 4-(6-amino-5-phenyl-3-pyridinyl)benzoic acid is Nc1ncc(-c2ccc(C(=O)O)cc2)cc1-c1ccccc1.
What is the InChIKey of 4-(6-amino-5-phenyl-3-pyridinyl)benzoic acid?
The InChIKey is HMORBYIUCSXLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c19-17-16(13-4-2-1-3-5-13)10-15(11-20-17)12-6-8-14(9-7-12)18(21)22/h1-11H,(H2,19,20)(H,21,22).
What are the key properties of 4-(6-amino-5-phenyl-3-pyridinyl)benzoic acid?
4-(6-amino-5-phenyl-3-pyridinyl)benzoic acid has a molecular weight of 290.32 g/mol, XLogP of 3.70, 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-phenyl-3-pyridinyl)benzoic acid is sourced from PubChem (CID 162669494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).