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

C18H13ClN2O2 — CID 162645224

IUPAC3-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzoic acid
SMILESNc1ncc(-c2cccc(C(=O)O)c2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN2O2/c19-15-6-4-11(5-7-15)16-9-14(10-21-17(16)20)12-2-1-3-13(8-12)18(22)23/h1-10H,(H2,20,21)(H,22,23)
InChIKeyLGCYIFSJNVXNBT-UHFFFAOYSA-N
MW324.77 g/mol
LogP4.35
Rot. Bonds3

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

3-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzoic acid (PubChem CID 162645224) has the molecular formula C18H13ClN2O2 and a molecular weight of 324.77 g/mol. Its IUPAC name is 3-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzoic acid.

Molecular Properties

Compound Name3-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzoic acid
PubChem CID162645224
Molecular FormulaC18H13ClN2O2
Molecular Weight324.77 g/mol
Exact Mass324.07
IUPAC Name3-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzoic acid
SMILESNc1ncc(-c2cccc(C(=O)O)c2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN2O2/c19-15-6-4-11(5-7-15)16-9-14(10-21-17(16)20)12-2-1-3-13(8-12)18(22)23/h1-10H,(H2,20,21)(H,22,23)
InChIKeyLGCYIFSJNVXNBT-UHFFFAOYSA-N
XLogP4.35
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzoic acid?
The IUPAC name of 3-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzoic acid (CID 162645224) is 3-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzoic acid.
What is the SMILES notation for 3-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzoic acid?
The canonical SMILES for 3-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzoic acid is Nc1ncc(-c2cccc(C(=O)O)c2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzoic acid?
The InChIKey is LGCYIFSJNVXNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O2/c19-15-6-4-11(5-7-15)16-9-14(10-21-17(16)20)12-2-1-3-13(8-12)18(22)23/h1-10H,(H2,20,21)(H,22,23).
What are the key properties of 3-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzoic acid?
3-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzoic acid has a molecular weight of 324.77 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzoic acid is sourced from PubChem (CID 162645224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).