6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-2-carboxylic acid

C12H12N2O3S — CID 114188591

IUPAC6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCC(O)c2ccsc2)n1
InChIInChI=1S/C12H12N2O3S/c15-10(8-4-5-18-7-8)6-13-11-3-1-2-9(14-11)12(16)17/h1-5,7,10,15H,6H2,(H,13,14)(H,16,17)
InChIKeySMOQNARMDUVEDF-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.99
Rot. Bonds5

About 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-2-carboxylic acid

6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-2-carboxylic acid (PubChem CID 114188591) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-2-carboxylic acid
PubChem CID114188591
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCC(O)c2ccsc2)n1
InChIInChI=1S/C12H12N2O3S/c15-10(8-4-5-18-7-8)6-13-11-3-1-2-9(14-11)12(16)17/h1-5,7,10,15H,6H2,(H,13,14)(H,16,17)
InChIKeySMOQNARMDUVEDF-UHFFFAOYSA-N
XLogP1.99
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol
CID 106436357
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1,3-oxazole-4-carboxylic acid
CID 106435570
6-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]pyridine-2-carboxylic acid
CID 122053851
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid
CID 106435556
2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 103761546
2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 113412276
2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188456
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436326
6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
CID 66107956
2-[(4-amino-1,3-benzoxazol-2-yl)amino]-1-thiophen-3-ylethanol
CID 106434509
2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 103705029
2-[[2-(propylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436437

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-2-carboxylic acid (CID 114188591) is 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NCC(O)c2ccsc2)n1.
What is the InChIKey of 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-2-carboxylic acid?
The InChIKey is SMOQNARMDUVEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c15-10(8-4-5-18-7-8)6-13-11-3-1-2-9(14-11)12(16)17/h1-5,7,10,15H,6H2,(H,13,14)(H,16,17).
What are the key properties of 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-2-carboxylic acid?
6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-2-carboxylic acid has a molecular weight of 264.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114188591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).