4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride

C7H9ClN2O2 — CID 139035417

IUPAC4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride
SMILESCl.NCc1ccnc(C(=O)O)c1
InChIInChI=1S/C7H8N2O2.ClH/c8-4-5-1-2-9-6(3-5)7(10)11;/h1-3H,4,8H2,(H,10,11);1H
InChIKeyYDESKWINMITFHG-UHFFFAOYSA-N
MW188.61 g/mol
LogP0.66
Rot. Bonds2

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

4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride (PubChem CID 139035417) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride
PubChem CID139035417
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride
SMILESCl.NCc1ccnc(C(=O)O)c1
InChIInChI=1S/C7H8N2O2.ClH/c8-4-5-1-2-9-6(3-5)7(10)11;/h1-3H,4,8H2,(H,10,11);1H
InChIKeyYDESKWINMITFHG-UHFFFAOYSA-N
XLogP0.66
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride 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

4-(methylsulfanylmethyl)pyridine-2-carboxylic acid
CID 63884403
4-(aminomethyl)-N-ethyl-N-methylpyridine-2-carboxamide
CID 115116977
4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid
CID 158981146
[4-(aminomethyl)-2-pyridinyl]-(1,3-thiazolidin-3-yl)methanone
CID 71180882
[4-(aminomethyl)-2-pyridinyl]carbamic acid
CID 154255839
4-(tert-butylsulfanylmethyl)pyridine-2-carboxylic acid
CID 63883811
4-docosylpyridine-2-carboxylic acid
CID 174759337
4-chloropyridine-2-carboxylic acid;dihydrochloride
CID 174449778
4-aminopyridine-2-carboxylic acid;hydrate
CID 74892475
hydrazine;pyridine-2,4-dicarboxylic acid
CID 71369189
4-[(4-tert-butylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid
CID 63881276
4-(aminomethyl)-N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide
CID 115116983

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride (CID 139035417) is 4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride is Cl.NCc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride?
The InChIKey is YDESKWINMITFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.ClH/c8-4-5-1-2-9-6(3-5)7(10)11;/h1-3H,4,8H2,(H,10,11);1H.
What are the key properties of 4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride?
4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride has a molecular weight of 188.61 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 139035417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).