2-(aminomethyl)-5-bromopyridine-3-carboxylic acid

C7H7BrN2O2 — CID 165451398

IUPAC2-(aminomethyl)-5-bromopyridine-3-carboxylic acid
SMILESNCc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C7H7BrN2O2/c8-4-1-5(7(11)12)6(2-9)10-3-4/h1,3H,2,9H2,(H,11,12)
InChIKeyYDFDIWGIURFMJM-UHFFFAOYSA-N
MW231.05 g/mol
LogP1.00
Rot. Bonds2

About 2-(aminomethyl)-5-bromopyridine-3-carboxylic acid

2-(aminomethyl)-5-bromopyridine-3-carboxylic acid (PubChem CID 165451398) has the molecular formula C7H7BrN2O2 and a molecular weight of 231.05 g/mol. Its IUPAC name is 2-(aminomethyl)-5-bromopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)-5-bromopyridine-3-carboxylic acid
PubChem CID165451398
Molecular FormulaC7H7BrN2O2
Molecular Weight231.05 g/mol
Exact Mass229.97
IUPAC Name2-(aminomethyl)-5-bromopyridine-3-carboxylic acid
SMILESNCc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C7H7BrN2O2/c8-4-1-5(7(11)12)6(2-9)10-3-4/h1,3H,2,9H2,(H,11,12)
InChIKeyYDFDIWGIURFMJM-UHFFFAOYSA-N
XLogP1.00
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-5-bromopyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(carboxymethyl)pyridine-3-carboxylic acid
CID 146050007
5-bromo-2-(14-methylpentadecyl)pyridine-3-carboxylic acid
CID 70373185
(3,5-dibromo-2-pyridinyl)methanamine;hydrochloride
CID 133055680
5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid
CID 167685517
5-bromo-2-(diethylamino)pyridine-3-carboxylic acid
CID 59700072
5-bromo-2-nitropyridine-3-carboxylic acid
CID 131030308
5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid
CID 64912935
5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63537700
5-bromo-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid
CID 55260858
bis(2-amino-5-bromobenzoic acid);cobalt
CID 5074264
5-amino-2-ethylpyridine-3-carboxylic acid
CID 84652342
5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboxylic acid
CID 104560416

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-bromopyridine-3-carboxylic acid?
The IUPAC name of 2-(aminomethyl)-5-bromopyridine-3-carboxylic acid (CID 165451398) is 2-(aminomethyl)-5-bromopyridine-3-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)-5-bromopyridine-3-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)-5-bromopyridine-3-carboxylic acid is NCc1ncc(Br)cc1C(=O)O.
What is the InChIKey of 2-(aminomethyl)-5-bromopyridine-3-carboxylic acid?
The InChIKey is YDFDIWGIURFMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2/c8-4-1-5(7(11)12)6(2-9)10-3-4/h1,3H,2,9H2,(H,11,12).
What are the key properties of 2-(aminomethyl)-5-bromopyridine-3-carboxylic acid?
2-(aminomethyl)-5-bromopyridine-3-carboxylic acid has a molecular weight of 231.05 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-bromopyridine-3-carboxylic acid is sourced from PubChem (CID 165451398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).