2-(aminomethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid;hydrochloride

C11H12ClN3O2 — CID 24778427

IUPAC2-(aminomethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid;hydrochloride
SMILESCl.NCc1[nH]c(-c2ccncc2)cc1C(=O)O
InChIInChI=1S/C11H11N3O2.ClH/c12-6-10-8(11(15)16)5-9(14-10)7-1-3-13-4-2-7;/h1-5,14H,6,12H2,(H,15,16);1H
InChIKeyQEOCZLXUZBRTQT-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.66
Rot. Bonds3

About 2-(aminomethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid;hydrochloride

2-(aminomethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid;hydrochloride (PubChem CID 24778427) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-(aminomethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid;hydrochloride
PubChem CID24778427
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name2-(aminomethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid;hydrochloride
SMILESCl.NCc1[nH]c(-c2ccncc2)cc1C(=O)O
InChIInChI=1S/C11H11N3O2.ClH/c12-6-10-8(11(15)16)5-9(14-10)7-1-3-13-4-2-7;/h1-5,14H,6,12H2,(H,15,16);1H
InChIKeyQEOCZLXUZBRTQT-UHFFFAOYSA-N
XLogP1.66
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid;hydrochloride?
The IUPAC name of 2-(aminomethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid;hydrochloride (CID 24778427) is 2-(aminomethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid;hydrochloride is Cl.NCc1[nH]c(-c2ccncc2)cc1C(=O)O.
What is the InChIKey of 2-(aminomethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid;hydrochloride?
The InChIKey is QEOCZLXUZBRTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2.ClH/c12-6-10-8(11(15)16)5-9(14-10)7-1-3-13-4-2-7;/h1-5,14H,6,12H2,(H,15,16);1H.
What are the key properties of 2-(aminomethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid;hydrochloride?
2-(aminomethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid;hydrochloride has a molecular weight of 253.69 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 24778427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).