(5Z,6E)-6-butylidene-5-prop-2-enylidenepyridine-2-carboxylic acid

C13H15NO2 — CID 142823777

IUPAC(5Z,6E)-6-butylidene-5-prop-2-enylidenepyridine-2-carboxylic acid
SMILESC=C/C=c1/ccc(C(=O)O)n/c1=C/CCC
InChIInChI=1S/C13H15NO2/c1-3-5-7-11-10(6-4-2)8-9-12(14-11)13(15)16/h4,6-9H,2-3,5H2,1H3,(H,15,16)/b10-6-,11-7+
InChIKeyUYAJHUWSQLVNAU-NAKBGQTNSA-N
MW217.27 g/mol
LogP1.33
Rot. Bonds4

About (5Z,6E)-6-butylidene-5-prop-2-enylidenepyridine-2-carboxylic acid

(5Z,6E)-6-butylidene-5-prop-2-enylidenepyridine-2-carboxylic acid (PubChem CID 142823777) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (5Z,6E)-6-butylidene-5-prop-2-enylidenepyridine-2-carboxylic acid.

Molecular Properties

Compound Name(5Z,6E)-6-butylidene-5-prop-2-enylidenepyridine-2-carboxylic acid
PubChem CID142823777
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(5Z,6E)-6-butylidene-5-prop-2-enylidenepyridine-2-carboxylic acid
SMILESC=C/C=c1/ccc(C(=O)O)n/c1=C/CCC
InChIInChI=1S/C13H15NO2/c1-3-5-7-11-10(6-4-2)8-9-12(14-11)13(15)16/h4,6-9H,2-3,5H2,1H3,(H,15,16)/b10-6-,11-7+
InChIKeyUYAJHUWSQLVNAU-NAKBGQTNSA-N
XLogP1.33
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-6-butylidene-5-prop-2-enylidenepyridine-2-carboxylic acid?
The IUPAC name of (5Z,6E)-6-butylidene-5-prop-2-enylidenepyridine-2-carboxylic acid (CID 142823777) is (5Z,6E)-6-butylidene-5-prop-2-enylidenepyridine-2-carboxylic acid.
What is the SMILES notation for (5Z,6E)-6-butylidene-5-prop-2-enylidenepyridine-2-carboxylic acid?
The canonical SMILES for (5Z,6E)-6-butylidene-5-prop-2-enylidenepyridine-2-carboxylic acid is C=C/C=c1/ccc(C(=O)O)n/c1=C/CCC.
What is the InChIKey of (5Z,6E)-6-butylidene-5-prop-2-enylidenepyridine-2-carboxylic acid?
The InChIKey is UYAJHUWSQLVNAU-NAKBGQTNSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-5-7-11-10(6-4-2)8-9-12(14-11)13(15)16/h4,6-9H,2-3,5H2,1H3,(H,15,16)/b10-6-,11-7+.
What are the key properties of (5Z,6E)-6-butylidene-5-prop-2-enylidenepyridine-2-carboxylic acid?
(5Z,6E)-6-butylidene-5-prop-2-enylidenepyridine-2-carboxylic acid has a molecular weight of 217.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-6-butylidene-5-prop-2-enylidenepyridine-2-carboxylic acid is sourced from PubChem (CID 142823777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).