4-(benzylamino)pyridine-2-carboxylic acid

C13H12N2O2 — CID 2474277

IUPAC4-(benzylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NCc2ccccc2)ccn1
InChIInChI=1S/C13H12N2O2/c16-13(17)12-8-11(6-7-14-12)15-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,14,15)(H,16,17)
InChIKeyVCNIHBWVYVCMRK-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.39
Rot. Bonds4

About 4-(benzylamino)pyridine-2-carboxylic acid

4-(benzylamino)pyridine-2-carboxylic acid (PubChem CID 2474277) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(benzylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(benzylamino)pyridine-2-carboxylic acid
PubChem CID2474277
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name4-(benzylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NCc2ccccc2)ccn1
InChIInChI=1S/C13H12N2O2/c16-13(17)12-8-11(6-7-14-12)15-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,14,15)(H,16,17)
InChIKeyVCNIHBWVYVCMRK-UHFFFAOYSA-N
XLogP2.39
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)pyridine-2-carboxylic acid?
The IUPAC name of 4-(benzylamino)pyridine-2-carboxylic acid (CID 2474277) is 4-(benzylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(benzylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(benzylamino)pyridine-2-carboxylic acid is O=C(O)c1cc(NCc2ccccc2)ccn1.
What is the InChIKey of 4-(benzylamino)pyridine-2-carboxylic acid?
The InChIKey is VCNIHBWVYVCMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-13(17)12-8-11(6-7-14-12)15-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,14,15)(H,16,17).
What are the key properties of 4-(benzylamino)pyridine-2-carboxylic acid?
4-(benzylamino)pyridine-2-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 2474277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).