5-[[(5-chloro-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid

C11H9ClN2O2S — CID 70982293

IUPAC5-[[(5-chloro-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CNc2cncc(Cl)c2)s1
InChIInChI=1S/C11H9ClN2O2S/c12-7-3-8(5-13-4-7)14-6-9-1-2-10(17-9)11(15)16/h1-5,14H,6H2,(H,15,16)
InChIKeyWPMFRFAADWBMQT-UHFFFAOYSA-N
MW268.72 g/mol
LogP3.11
Rot. Bonds4

About 5-[[(5-chloro-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid

5-[[(5-chloro-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid (PubChem CID 70982293) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.72 g/mol. Its IUPAC name is 5-[[(5-chloro-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(5-chloro-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid
PubChem CID70982293
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.72 g/mol
Exact Mass268.01
IUPAC Name5-[[(5-chloro-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CNc2cncc(Cl)c2)s1
InChIInChI=1S/C11H9ClN2O2S/c12-7-3-8(5-13-4-7)14-6-9-1-2-10(17-9)11(15)16/h1-5,14H,6H2,(H,15,16)
InChIKeyWPMFRFAADWBMQT-UHFFFAOYSA-N
XLogP3.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[(5-chloro-3-pyridinyl)amino]methyl]thiophene-2-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

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-chloro-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[(5-chloro-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid (CID 70982293) is 5-[[(5-chloro-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[(5-chloro-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[(5-chloro-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(CNc2cncc(Cl)c2)s1.
What is the InChIKey of 5-[[(5-chloro-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is WPMFRFAADWBMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c12-7-3-8(5-13-4-7)14-6-9-1-2-10(17-9)11(15)16/h1-5,14H,6H2,(H,15,16).
What are the key properties of 5-[[(5-chloro-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid?
5-[[(5-chloro-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 268.72 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-chloro-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 70982293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).