6-phenyl-2H-pyridine-1-carboxylic acid

C12H11NO2 — CID 68789885

IUPAC6-phenyl-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CC=CC=C1c1ccccc1
InChIInChI=1S/C12H11NO2/c14-12(15)13-9-5-4-8-11(13)10-6-2-1-3-7-10/h1-8H,9H2,(H,14,15)
InChIKeyGNDJCYSFNWCLEI-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.58
Rot. Bonds1

About 6-phenyl-2H-pyridine-1-carboxylic acid

6-phenyl-2H-pyridine-1-carboxylic acid (PubChem CID 68789885) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 6-phenyl-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-phenyl-2H-pyridine-1-carboxylic acid
PubChem CID68789885
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name6-phenyl-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CC=CC=C1c1ccccc1
InChIInChI=1S/C12H11NO2/c14-12(15)13-9-5-4-8-11(13)10-6-2-1-3-7-10/h1-8H,9H2,(H,14,15)
InChIKeyGNDJCYSFNWCLEI-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2H-pyridine-1-carboxylic acid?
The IUPAC name of 6-phenyl-2H-pyridine-1-carboxylic acid (CID 68789885) is 6-phenyl-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 6-phenyl-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 6-phenyl-2H-pyridine-1-carboxylic acid is O=C(O)N1CC=CC=C1c1ccccc1.
What is the InChIKey of 6-phenyl-2H-pyridine-1-carboxylic acid?
The InChIKey is GNDJCYSFNWCLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-12(15)13-9-5-4-8-11(13)10-6-2-1-3-7-10/h1-8H,9H2,(H,14,15).
What are the key properties of 6-phenyl-2H-pyridine-1-carboxylic acid?
6-phenyl-2H-pyridine-1-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 68789885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).