2-but-2-en-2-yl-6-(2,6-difluoroanilino)pyridine-3-carboxylic acid

C16H14F2N2O2 — CID 91168763

IUPAC2-but-2-en-2-yl-6-(2,6-difluoroanilino)pyridine-3-carboxylic acid
SMILESCC=C(C)c1nc(Nc2c(F)cccc2F)ccc1C(=O)O
InChIInChI=1S/C16H14F2N2O2/c1-3-9(2)14-10(16(21)22)7-8-13(19-14)20-15-11(17)5-4-6-12(15)18/h3-8H,1-2H3,(H,19,20)(H,21,22)
InChIKeyNSVDTLXGWUDPTK-UHFFFAOYSA-N
MW304.30 g/mol
LogP4.22
Rot. Bonds4

About 2-but-2-en-2-yl-6-(2,6-difluoroanilino)pyridine-3-carboxylic acid

2-but-2-en-2-yl-6-(2,6-difluoroanilino)pyridine-3-carboxylic acid (PubChem CID 91168763) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-but-2-en-2-yl-6-(2,6-difluoroanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-but-2-en-2-yl-6-(2,6-difluoroanilino)pyridine-3-carboxylic acid
PubChem CID91168763
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC Name2-but-2-en-2-yl-6-(2,6-difluoroanilino)pyridine-3-carboxylic acid
SMILESCC=C(C)c1nc(Nc2c(F)cccc2F)ccc1C(=O)O
InChIInChI=1S/C16H14F2N2O2/c1-3-9(2)14-10(16(21)22)7-8-13(19-14)20-15-11(17)5-4-6-12(15)18/h3-8H,1-2H3,(H,19,20)(H,21,22)
InChIKeyNSVDTLXGWUDPTK-UHFFFAOYSA-N
XLogP4.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-but-2-en-2-yl-6-(2,6-difluoroanilino)pyridine-3-carboxylic acid?
The IUPAC name of 2-but-2-en-2-yl-6-(2,6-difluoroanilino)pyridine-3-carboxylic acid (CID 91168763) is 2-but-2-en-2-yl-6-(2,6-difluoroanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-but-2-en-2-yl-6-(2,6-difluoroanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-but-2-en-2-yl-6-(2,6-difluoroanilino)pyridine-3-carboxylic acid is CC=C(C)c1nc(Nc2c(F)cccc2F)ccc1C(=O)O.
What is the InChIKey of 2-but-2-en-2-yl-6-(2,6-difluoroanilino)pyridine-3-carboxylic acid?
The InChIKey is NSVDTLXGWUDPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c1-3-9(2)14-10(16(21)22)7-8-13(19-14)20-15-11(17)5-4-6-12(15)18/h3-8H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-but-2-en-2-yl-6-(2,6-difluoroanilino)pyridine-3-carboxylic acid?
2-but-2-en-2-yl-6-(2,6-difluoroanilino)pyridine-3-carboxylic acid has a molecular weight of 304.30 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-en-2-yl-6-(2,6-difluoroanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 91168763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).