2-[(5-ethylthiophen-2-yl)methylamino]-3-fluoropyridine-4-carboxylic acid

C13H13FN2O2S — CID 114136294

IUPAC2-[(5-ethylthiophen-2-yl)methylamino]-3-fluoropyridine-4-carboxylic acid
SMILESCCc1ccc(CNc2nccc(C(=O)O)c2F)s1
InChIInChI=1S/C13H13FN2O2S/c1-2-8-3-4-9(19-8)7-16-12-11(14)10(13(17)18)5-6-15-12/h3-6H,2,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyUZNJNVQRAHJJOF-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.15
Rot. Bonds5

About 2-[(5-ethylthiophen-2-yl)methylamino]-3-fluoropyridine-4-carboxylic acid

2-[(5-ethylthiophen-2-yl)methylamino]-3-fluoropyridine-4-carboxylic acid (PubChem CID 114136294) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)methylamino]-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)methylamino]-3-fluoropyridine-4-carboxylic acid
PubChem CID114136294
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name2-[(5-ethylthiophen-2-yl)methylamino]-3-fluoropyridine-4-carboxylic acid
SMILESCCc1ccc(CNc2nccc(C(=O)O)c2F)s1
InChIInChI=1S/C13H13FN2O2S/c1-2-8-3-4-9(19-8)7-16-12-11(14)10(13(17)18)5-6-15-12/h3-6H,2,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyUZNJNVQRAHJJOF-UHFFFAOYSA-N
XLogP3.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-ethylthiophen-2-yl)methylamino]-3-fluoropyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5-ethylthiophen-2-yl)methylamino]-2,3-difluorobenzoic acid
CID 106006335
3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-4-carboxylic acid
CID 105382172
5-[(5-ethylthiophen-2-yl)methylamino]-2,4-difluorobenzoic acid
CID 62346258
2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-fluoropyridine-4-carboxylic acid
CID 114170880
2-[(2,5-difluorophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382350
3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 105382642
3-fluoro-2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 105382410
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-fluoropyridine-4-carboxylic acid
CID 106278197
5-chloro-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 114136292
2-[2-(carbamoylamino)ethylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382591
3-[(5-ethylthiophen-2-yl)methylamino]-1H-pyrazin-2-one
CID 103702635
3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid
CID 105381797

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)methylamino]-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)methylamino]-3-fluoropyridine-4-carboxylic acid (CID 114136294) is 2-[(5-ethylthiophen-2-yl)methylamino]-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)methylamino]-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)methylamino]-3-fluoropyridine-4-carboxylic acid is CCc1ccc(CNc2nccc(C(=O)O)c2F)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)methylamino]-3-fluoropyridine-4-carboxylic acid?
The InChIKey is UZNJNVQRAHJJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-2-8-3-4-9(19-8)7-16-12-11(14)10(13(17)18)5-6-15-12/h3-6H,2,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(5-ethylthiophen-2-yl)methylamino]-3-fluoropyridine-4-carboxylic acid?
2-[(5-ethylthiophen-2-yl)methylamino]-3-fluoropyridine-4-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)methylamino]-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 114136294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).