6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid

C14H12N2O2 — CID 118860122

IUPAC6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid
SMILESC/C(=N\c1ccccc1)c1cccc(C(=O)O)n1
InChIInChI=1S/C14H12N2O2/c1-10(15-11-6-3-2-4-7-11)12-8-5-9-13(16-12)14(17)18/h2-9H,1H3,(H,17,18)/b15-10+
InChIKeyBDENJTXDZLWMJJ-XNTDXEJSSA-N
MW240.26 g/mol
LogP2.92
Rot. Bonds3

About 6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid

6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid (PubChem CID 118860122) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid
PubChem CID118860122
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid
SMILESC/C(=N\c1ccccc1)c1cccc(C(=O)O)n1
InChIInChI=1S/C14H12N2O2/c1-10(15-11-6-3-2-4-7-11)12-8-5-9-13(16-12)14(17)18/h2-9H,1H3,(H,17,18)/b15-10+
InChIKeyBDENJTXDZLWMJJ-XNTDXEJSSA-N
XLogP2.92
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid (CID 118860122) is 6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid is C/C(=N\c1ccccc1)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid?
The InChIKey is BDENJTXDZLWMJJ-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-10(15-11-6-3-2-4-7-11)12-8-5-9-13(16-12)14(17)18/h2-9H,1H3,(H,17,18)/b15-10+.
What are the key properties of 6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid?
6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 118860122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).