5-amino-6-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxylic acid

C12H12ClN3O2S — CID 114139636

IUPAC5-amino-6-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1NCCc1ccc(Cl)s1
InChIInChI=1S/C12H12ClN3O2S/c13-10-4-1-7(19-10)5-6-15-11-8(14)2-3-9(16-11)12(17)18/h1-4H,5-6,14H2,(H,15,16)(H,17,18)
InChIKeyTZGMILNFAZXQLG-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.73
Rot. Bonds5

About 5-amino-6-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxylic acid

5-amino-6-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxylic acid (PubChem CID 114139636) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 5-amino-6-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxylic acid
PubChem CID114139636
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name5-amino-6-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1NCCc1ccc(Cl)s1
InChIInChI=1S/C12H12ClN3O2S/c13-10-4-1-7(19-10)5-6-15-11-8(14)2-3-9(16-11)12(17)18/h1-4H,5-6,14H2,(H,15,16)(H,17,18)
InChIKeyTZGMILNFAZXQLG-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

2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-oxazole-4-carboxylic acid
CID 106035152
2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine
CID 114139324
5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 106039624
2-[2-(5-chlorothiophen-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
CID 106042979
4-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 114214874
5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
CID 114406222
5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid
CID 106106239
5-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 106036943
5-amino-6-(3-methylsulfinylpropylamino)pyridine-2-carboxylic acid
CID 114407985
5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114406408
4-N-[2-(5-chlorothiophen-2-yl)ethyl]benzene-1,2,4-triamine
CID 106037251
5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid
CID 114404928

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxylic acid (CID 114139636) is 5-amino-6-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxylic acid is Nc1ccc(C(=O)O)nc1NCCc1ccc(Cl)s1.
What is the InChIKey of 5-amino-6-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxylic acid?
The InChIKey is TZGMILNFAZXQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c13-10-4-1-7(19-10)5-6-15-11-8(14)2-3-9(16-11)12(17)18/h1-4H,5-6,14H2,(H,15,16)(H,17,18).
What are the key properties of 5-amino-6-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxylic acid?
5-amino-6-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-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-6-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114139636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).