6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid

C13H13ClN2O2S — CID 106904043

IUPAC6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
SMILESCN(Cc1cccc(C(=O)O)n1)Cc1ccc(Cl)s1
InChIInChI=1S/C13H13ClN2O2S/c1-16(8-10-5-6-12(14)19-10)7-9-3-2-4-11(15-9)13(17)18/h2-6H,7-8H2,1H3,(H,17,18)
InChIKeyLQRMXZBPJUIXBM-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.13
Rot. Bonds5

About 6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid

6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904043) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
PubChem CID106904043
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
SMILESCN(Cc1cccc(C(=O)O)n1)Cc1ccc(Cl)s1
InChIInChI=1S/C13H13ClN2O2S/c1-16(8-10-5-6-12(14)19-10)7-9-3-2-4-11(15-9)13(17)18/h2-6H,7-8H2,1H3,(H,17,18)
InChIKeyLQRMXZBPJUIXBM-UHFFFAOYSA-N
XLogP3.13
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-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

Related Compounds

N-[[6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106906102
6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904019
6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904183
6-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904017
4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 63883391
6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904193
2-amino-6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]benzoic acid
CID 104824459
6-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 74233804
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
3-chloro-4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]benzoic acid
CID 102669868
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide
CID 9294194
4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-methylbutanoic acid
CID 115220002

Frequently Asked Questions

What is the IUPAC name of 6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid (CID 106904043) is 6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid is CN(Cc1cccc(C(=O)O)n1)Cc1ccc(Cl)s1.
What is the InChIKey of 6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is LQRMXZBPJUIXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-16(8-10-5-6-12(14)19-10)7-9-3-2-4-11(15-9)13(17)18/h2-6H,7-8H2,1H3,(H,17,18).
What are the key properties of 6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid?
6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 296.78 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).