6-[2-(aminomethyl)phenyl]pyridine-2-carboxylic acid

C13H12N2O2 — CID 22345553

IUPAC6-[2-(aminomethyl)phenyl]pyridine-2-carboxylic acid
SMILESNCc1ccccc1-c1cccc(C(=O)O)n1
InChIInChI=1S/C13H12N2O2/c14-8-9-4-1-2-5-10(9)11-6-3-7-12(15-11)13(16)17/h1-7H,8,14H2,(H,16,17)
InChIKeyAUQCRTMFZCIRJL-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.91
Rot. Bonds3

About 6-[2-(aminomethyl)phenyl]pyridine-2-carboxylic acid

6-[2-(aminomethyl)phenyl]pyridine-2-carboxylic acid (PubChem CID 22345553) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 6-[2-(aminomethyl)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(aminomethyl)phenyl]pyridine-2-carboxylic acid
PubChem CID22345553
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name6-[2-(aminomethyl)phenyl]pyridine-2-carboxylic acid
SMILESNCc1ccccc1-c1cccc(C(=O)O)n1
InChIInChI=1S/C13H12N2O2/c14-8-9-4-1-2-5-10(9)11-6-3-7-12(15-11)13(16)17/h1-7H,8,14H2,(H,16,17)
InChIKeyAUQCRTMFZCIRJL-UHFFFAOYSA-N
XLogP1.91
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(aminomethyl)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(aminomethyl)phenyl]pyridine-2-carboxylic acid (CID 22345553) is 6-[2-(aminomethyl)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(aminomethyl)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(aminomethyl)phenyl]pyridine-2-carboxylic acid is NCc1ccccc1-c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[2-(aminomethyl)phenyl]pyridine-2-carboxylic acid?
The InChIKey is AUQCRTMFZCIRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c14-8-9-4-1-2-5-10(9)11-6-3-7-12(15-11)13(16)17/h1-7H,8,14H2,(H,16,17).
What are the key properties of 6-[2-(aminomethyl)phenyl]pyridine-2-carboxylic acid?
6-[2-(aminomethyl)phenyl]pyridine-2-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(aminomethyl)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 22345553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).