5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid

C12H12ClN3O2S — CID 106039624

IUPAC5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
SMILESNc1cnc(NCCc2ccc(Cl)s2)c(C(=O)O)c1
InChIInChI=1S/C12H12ClN3O2S/c13-10-2-1-8(19-10)3-4-15-11-9(12(17)18)5-7(14)6-16-11/h1-2,5-6H,3-4,14H2,(H,15,16)(H,17,18)
InChIKeyWDSONVODXGUYTK-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.73
Rot. Bonds5

About 5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid

5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 106039624) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
PubChem CID106039624
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
SMILESNc1cnc(NCCc2ccc(Cl)s2)c(C(=O)O)c1
InChIInChI=1S/C12H12ClN3O2S/c13-10-2-1-8(19-10)3-4-15-11-9(12(17)18)5-7(14)6-16-11/h1-2,5-6H,3-4,14H2,(H,15,16)(H,17,18)
InChIKeyWDSONVODXGUYTK-UHFFFAOYSA-N
XLogP2.73
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 114214874
5-amino-6-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 114139636
5-amino-2-(benzylamino)pyridine-3-carboxylic acid
CID 82477976
5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106422564
2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine
CID 114139324
5-amino-2-(octylamino)pyridine-3-carboxylic acid
CID 114047314
5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-fluoropyridin-2-amine
CID 106039969
4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,6-diamine
CID 106036887
4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,7-diamine
CID 106036940
5-amino-2-(2-methylpropylamino)pyridine-3-carboxylic acid
CID 82470655
2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazole-2,5-diamine
CID 106037262
5-amino-2-(furan-2-ylmethylamino)pyridine-3-carboxylic acid
CID 82475430

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid (CID 106039624) is 5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid is Nc1cnc(NCCc2ccc(Cl)s2)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is WDSONVODXGUYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c13-10-2-1-8(19-10)3-4-15-11-9(12(17)18)5-7(14)6-16-11/h1-2,5-6H,3-4,14H2,(H,15,16)(H,17,18).
What are the key properties of 5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid?
5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 297.77 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 106039624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).