6-ethylidene-5-(2-methylpropylidene)pyridine-2-carboxylic acid

C12H15NO2 — CID 123553644

IUPAC6-ethylidene-5-(2-methylpropylidene)pyridine-2-carboxylic acid
SMILESCC=c1nc(C(=O)O)ccc1=CC(C)C
InChIInChI=1S/C12H15NO2/c1-4-10-9(7-8(2)3)5-6-11(13-10)12(14)15/h4-8H,1-3H3,(H,14,15)
InChIKeyDRLUADYIVWGKPI-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.02
Rot. Bonds2

About 6-ethylidene-5-(2-methylpropylidene)pyridine-2-carboxylic acid

6-ethylidene-5-(2-methylpropylidene)pyridine-2-carboxylic acid (PubChem CID 123553644) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-ethylidene-5-(2-methylpropylidene)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-ethylidene-5-(2-methylpropylidene)pyridine-2-carboxylic acid
PubChem CID123553644
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name6-ethylidene-5-(2-methylpropylidene)pyridine-2-carboxylic acid
SMILESCC=c1nc(C(=O)O)ccc1=CC(C)C
InChIInChI=1S/C12H15NO2/c1-4-10-9(7-8(2)3)5-6-11(13-10)12(14)15/h4-8H,1-3H3,(H,14,15)
InChIKeyDRLUADYIVWGKPI-UHFFFAOYSA-N
XLogP1.02
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethylidene-5-(2-methylpropylidene)pyridine-2-carboxylic acid?
The IUPAC name of 6-ethylidene-5-(2-methylpropylidene)pyridine-2-carboxylic acid (CID 123553644) is 6-ethylidene-5-(2-methylpropylidene)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-ethylidene-5-(2-methylpropylidene)pyridine-2-carboxylic acid?
The canonical SMILES for 6-ethylidene-5-(2-methylpropylidene)pyridine-2-carboxylic acid is CC=c1nc(C(=O)O)ccc1=CC(C)C.
What is the InChIKey of 6-ethylidene-5-(2-methylpropylidene)pyridine-2-carboxylic acid?
The InChIKey is DRLUADYIVWGKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-4-10-9(7-8(2)3)5-6-11(13-10)12(14)15/h4-8H,1-3H3,(H,14,15).
What are the key properties of 6-ethylidene-5-(2-methylpropylidene)pyridine-2-carboxylic acid?
6-ethylidene-5-(2-methylpropylidene)pyridine-2-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylidene-5-(2-methylpropylidene)pyridine-2-carboxylic acid is sourced from PubChem (CID 123553644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).