3-benzhydrylpyridine-2-carboxylic acid

C19H15NO2 — CID 22748745

IUPAC3-benzhydrylpyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15NO2/c21-19(22)18-16(12-7-13-20-18)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,17H,(H,21,22)
InChIKeyXJSNJTDGQKDILZ-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.96
Rot. Bonds4

About 3-benzhydrylpyridine-2-carboxylic acid

3-benzhydrylpyridine-2-carboxylic acid (PubChem CID 22748745) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-benzhydrylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-benzhydrylpyridine-2-carboxylic acid
PubChem CID22748745
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name3-benzhydrylpyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15NO2/c21-19(22)18-16(12-7-13-20-18)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,17H,(H,21,22)
InChIKeyXJSNJTDGQKDILZ-UHFFFAOYSA-N
XLogP3.96
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzhydrylpyridine-2-carboxylic acid?
The IUPAC name of 3-benzhydrylpyridine-2-carboxylic acid (CID 22748745) is 3-benzhydrylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-benzhydrylpyridine-2-carboxylic acid?
The canonical SMILES for 3-benzhydrylpyridine-2-carboxylic acid is O=C(O)c1ncccc1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzhydrylpyridine-2-carboxylic acid?
The InChIKey is XJSNJTDGQKDILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c21-19(22)18-16(12-7-13-20-18)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,17H,(H,21,22).
What are the key properties of 3-benzhydrylpyridine-2-carboxylic acid?
3-benzhydrylpyridine-2-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydrylpyridine-2-carboxylic acid is sourced from PubChem (CID 22748745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).