4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid

C13H13ClN2O2S — CID 63883391

IUPAC4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
SMILESCN(Cc1ccnc(C(=O)O)c1)Cc1ccc(Cl)s1
InChIInChI=1S/C13H13ClN2O2S/c1-16(8-10-2-3-12(14)19-10)7-9-4-5-15-11(6-9)13(17)18/h2-6H,7-8H2,1H3,(H,17,18)
InChIKeyZVNLWTOQVTZDMU-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.13
Rot. Bonds5

About 4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid

4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 63883391) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
PubChem CID63883391
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
SMILESCN(Cc1ccnc(C(=O)O)c1)Cc1ccc(Cl)s1
InChIInChI=1S/C13H13ClN2O2S/c1-16(8-10-2-3-12(14)19-10)7-9-4-5-15-11(6-9)13(17)18/h2-6H,7-8H2,1H3,(H,17,18)
InChIKeyZVNLWTOQVTZDMU-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

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Related Compounds

6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904043
4-[[methyl(3-methylbutyl)amino]methyl]pyridine-2-carboxylic acid
CID 63881450
3-chloro-4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]benzoic acid
CID 102669868
2-amino-4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]phenol
CID 61438284
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-(4-trimethylsilylphenyl)methanamine
CID 103438323
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63883409
5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63585244
4-(chloromethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 61442160
2-bromo-5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]aniline
CID 113335086
4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-methylbutanoic acid
CID 115220002
4-[(dibutylamino)methyl]pyridine-2-carboxylic acid
CID 63880878

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid (CID 63883391) is 4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid is CN(Cc1ccnc(C(=O)O)c1)Cc1ccc(Cl)s1.
What is the InChIKey of 4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is ZVNLWTOQVTZDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-16(8-10-2-3-12(14)19-10)7-9-4-5-15-11(6-9)13(17)18/h2-6H,7-8H2,1H3,(H,17,18).
What are the key properties of 4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid?
4-[[(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 4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63883391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).