3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carboxylic acid

C12H11FN2O2S — CID 105381917

IUPAC3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carboxylic acid
SMILESCN(Cc1cccs1)c1nccc(C(=O)O)c1F
InChIInChI=1S/C12H11FN2O2S/c1-15(7-8-3-2-6-18-8)11-10(13)9(12(16)17)4-5-14-11/h2-6H,7H2,1H3,(H,16,17)
InChIKeyWRAUOYBLVBNIJG-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.62
Rot. Bonds4

About 3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carboxylic acid

3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carboxylic acid (PubChem CID 105381917) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carboxylic acid
PubChem CID105381917
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carboxylic acid
SMILESCN(Cc1cccs1)c1nccc(C(=O)O)c1F
InChIInChI=1S/C12H11FN2O2S/c1-15(7-8-3-2-6-18-8)11-10(13)9(12(16)17)4-5-14-11/h2-6H,7H2,1H3,(H,16,17)
InChIKeyWRAUOYBLVBNIJG-UHFFFAOYSA-N
XLogP2.62
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carboxylic acid (CID 105381917) is 3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carboxylic acid is CN(Cc1cccs1)c1nccc(C(=O)O)c1F.
What is the InChIKey of 3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carboxylic acid?
The InChIKey is WRAUOYBLVBNIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-15(7-8-3-2-6-18-8)11-10(13)9(12(16)17)4-5-14-11/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carboxylic acid?
3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 105381917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).