3-fluoro-2-(1-thiophen-3-ylethylamino)pyridine-4-carboxylic acid

C12H11FN2O2S — CID 105382273

IUPAC3-fluoro-2-(1-thiophen-3-ylethylamino)pyridine-4-carboxylic acid
SMILESCC(Nc1nccc(C(=O)O)c1F)c1ccsc1
InChIInChI=1S/C12H11FN2O2S/c1-7(8-3-5-18-6-8)15-11-10(13)9(12(16)17)2-4-14-11/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyADUXLMAXZOPOHE-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.15
Rot. Bonds4

About 3-fluoro-2-(1-thiophen-3-ylethylamino)pyridine-4-carboxylic acid

3-fluoro-2-(1-thiophen-3-ylethylamino)pyridine-4-carboxylic acid (PubChem CID 105382273) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-fluoro-2-(1-thiophen-3-ylethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-(1-thiophen-3-ylethylamino)pyridine-4-carboxylic acid
PubChem CID105382273
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name3-fluoro-2-(1-thiophen-3-ylethylamino)pyridine-4-carboxylic acid
SMILESCC(Nc1nccc(C(=O)O)c1F)c1ccsc1
InChIInChI=1S/C12H11FN2O2S/c1-7(8-3-5-18-6-8)15-11-10(13)9(12(16)17)2-4-14-11/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyADUXLMAXZOPOHE-UHFFFAOYSA-N
XLogP3.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 105382448
2-bromo-3-fluoro-4-(1-thiophen-3-ylethylamino)benzoic acid
CID 107540257
2-(1-ethoxypropan-2-ylamino)-3-fluoropyridine-4-carboxylic acid
CID 105382171
2-(1-thiophen-3-ylethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62845332
3-bromo-N-(1-thiophen-3-ylethyl)pyridin-2-amine
CID 62840685
3-fluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 106161995
3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid
CID 105382162
2-[(1-thiophen-3-ylethylamino)methyl]pyridine-3-carboxylic acid
CID 114198700
4-(1-thiophen-3-ylethylamino)quinazoline-2-carboxylic acid
CID 63868698
3-fluoro-2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 105382410
1-(1-thiophen-3-ylethylamino)isoquinoline-3-carboxylic acid
CID 62844593
3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid
CID 106019558

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(1-thiophen-3-ylethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-(1-thiophen-3-ylethylamino)pyridine-4-carboxylic acid (CID 105382273) is 3-fluoro-2-(1-thiophen-3-ylethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-(1-thiophen-3-ylethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-(1-thiophen-3-ylethylamino)pyridine-4-carboxylic acid is CC(Nc1nccc(C(=O)O)c1F)c1ccsc1.
What is the InChIKey of 3-fluoro-2-(1-thiophen-3-ylethylamino)pyridine-4-carboxylic acid?
The InChIKey is ADUXLMAXZOPOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-7(8-3-5-18-6-8)15-11-10(13)9(12(16)17)2-4-14-11/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-fluoro-2-(1-thiophen-3-ylethylamino)pyridine-4-carboxylic acid?
3-fluoro-2-(1-thiophen-3-ylethylamino)pyridine-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(1-thiophen-3-ylethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 105382273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).