2-amino-4-pyridin-2-ylthiophene-3-carboxylic acid

C10H8N2O2S — CID 118992178

IUPAC2-amino-4-pyridin-2-ylthiophene-3-carboxylic acid
SMILESNc1scc(-c2ccccn2)c1C(=O)O
InChIInChI=1S/C10H8N2O2S/c11-9-8(10(13)14)6(5-15-9)7-3-1-2-4-12-7/h1-5H,11H2,(H,13,14)
InChIKeyPMDGVYQDECNRTN-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.09
Rot. Bonds2

About 2-amino-4-pyridin-2-ylthiophene-3-carboxylic acid

2-amino-4-pyridin-2-ylthiophene-3-carboxylic acid (PubChem CID 118992178) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-amino-4-pyridin-2-ylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-pyridin-2-ylthiophene-3-carboxylic acid
PubChem CID118992178
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name2-amino-4-pyridin-2-ylthiophene-3-carboxylic acid
SMILESNc1scc(-c2ccccn2)c1C(=O)O
InChIInChI=1S/C10H8N2O2S/c11-9-8(10(13)14)6(5-15-9)7-3-1-2-4-12-7/h1-5H,11H2,(H,13,14)
InChIKeyPMDGVYQDECNRTN-UHFFFAOYSA-N
XLogP2.09
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-pyridin-3-ylthiophene-3-carboxylic acid
CID 70232661
5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 83707486
3-nitro-4-pyridin-2-ylphthalic acid
CID 141140668
3-chloro-5-pyridin-2-ylpyridazine-4-carboxylic acid
CID 117127494
3-hydroxy-2-methyl-5-pyridin-2-ylpyridine-4-carboxylic acid
CID 96600804
5-pyridin-2-ylthiophene-3-carboxylic acid
CID 79684127
4-amino-1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxylic acid
CID 28805947
2-amino-5-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271783
2,6-difluoro-4-pyridin-2-ylbenzoic acid
CID 176582239
3-pyridin-2-yl-1H-pyrrole-2-carboxylic acid
CID 67047681
4-pyridin-2-yl-1,2-oxazole-5-carboxylic acid
CID 82372800
2,3-dimethyl-4-pyridin-2-ylbenzoic acid
CID 175747160

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-pyridin-2-ylthiophene-3-carboxylic acid?
The IUPAC name of 2-amino-4-pyridin-2-ylthiophene-3-carboxylic acid (CID 118992178) is 2-amino-4-pyridin-2-ylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-amino-4-pyridin-2-ylthiophene-3-carboxylic acid?
The canonical SMILES for 2-amino-4-pyridin-2-ylthiophene-3-carboxylic acid is Nc1scc(-c2ccccn2)c1C(=O)O.
What is the InChIKey of 2-amino-4-pyridin-2-ylthiophene-3-carboxylic acid?
The InChIKey is PMDGVYQDECNRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c11-9-8(10(13)14)6(5-15-9)7-3-1-2-4-12-7/h1-5H,11H2,(H,13,14).
What are the key properties of 2-amino-4-pyridin-2-ylthiophene-3-carboxylic acid?
2-amino-4-pyridin-2-ylthiophene-3-carboxylic acid has a molecular weight of 220.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-pyridin-2-ylthiophene-3-carboxylic acid is sourced from PubChem (CID 118992178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).