2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid

C12H12N2O3S — CID 106435556

IUPAC2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCC(O)c2ccsc2)c1
InChIInChI=1S/C12H12N2O3S/c15-10(9-2-4-18-7-9)6-14-11-5-8(12(16)17)1-3-13-11/h1-5,7,10,15H,6H2,(H,13,14)(H,16,17)
InChIKeyOWRQHIYCDPLBTN-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.99
Rot. Bonds5

About 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid

2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid (PubChem CID 106435556) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid
PubChem CID106435556
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCC(O)c2ccsc2)c1
InChIInChI=1S/C12H12N2O3S/c15-10(9-2-4-18-7-9)6-14-11-5-8(12(16)17)1-3-13-11/h1-5,7,10,15H,6H2,(H,13,14)(H,16,17)
InChIKeyOWRQHIYCDPLBTN-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

6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-2-carboxylic acid
CID 114188591
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188665
2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188663
2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 103761546
4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-nitrobenzoic acid
CID 106435567
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115
2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 65035612
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1,3-oxazole-4-carboxylic acid
CID 106435570
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 103858145
5-fluoro-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-3-carboxylic acid
CID 106435593
3-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethoxy]benzoic acid
CID 106435947
2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
CID 63960049

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid (CID 106435556) is 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid is O=C(O)c1ccnc(NCC(O)c2ccsc2)c1.
What is the InChIKey of 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid?
The InChIKey is OWRQHIYCDPLBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c15-10(9-2-4-18-7-9)6-14-11-5-8(12(16)17)1-3-13-11/h1-5,7,10,15H,6H2,(H,13,14)(H,16,17).
What are the key properties of 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid?
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-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 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 106435556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).