2-(aminomethyl)pyridine-4-carboxylic acid

C7H8N2O2 — CID 22099232

IUPAC2-(aminomethyl)pyridine-4-carboxylic acid
SMILESNCc1cc(C(=O)O)ccn1
InChIInChI=1S/C7H8N2O2/c8-4-6-3-5(7(10)11)1-2-9-6/h1-3H,4,8H2,(H,10,11)
InChIKeyQDUKOZRLAGHGOF-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.24
Rot. Bonds2

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

2-(aminomethyl)pyridine-4-carboxylic acid (PubChem CID 22099232) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-(aminomethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)pyridine-4-carboxylic acid
PubChem CID22099232
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name2-(aminomethyl)pyridine-4-carboxylic acid
SMILESNCc1cc(C(=O)O)ccn1
InChIInChI=1S/C7H8N2O2/c8-4-6-3-5(7(10)11)1-2-9-6/h1-3H,4,8H2,(H,10,11)
InChIKeyQDUKOZRLAGHGOF-UHFFFAOYSA-N
XLogP0.24
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(aminomethyl)pyridine-4-carboxylic acid (CID 22099232) is 2-(aminomethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)pyridine-4-carboxylic acid is NCc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-(aminomethyl)pyridine-4-carboxylic acid?
The InChIKey is QDUKOZRLAGHGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c8-4-6-3-5(7(10)11)1-2-9-6/h1-3H,4,8H2,(H,10,11).
What are the key properties of 2-(aminomethyl)pyridine-4-carboxylic acid?
2-(aminomethyl)pyridine-4-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 22099232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).