(2E,3Z)-2,3-bis(prop-2-enylidene)pyridine-4-carboxylic acid

C12H11NO2 — CID 143124965

IUPAC(2E,3Z)-2,3-bis(prop-2-enylidene)pyridine-4-carboxylic acid
SMILESC=C/C=c1/c(C(=O)O)ccn/c1=C/C=C
InChIInChI=1S/C12H11NO2/c1-3-5-9-10(12(14)15)7-8-13-11(9)6-4-2/h3-8H,1-2H2,(H,14,15)/b9-5-,11-6+
InChIKeyDLZGMKVPTLTEII-YCQMDOFOSA-N
MW201.22 g/mol
LogP0.71
Rot. Bonds3

About (2E,3Z)-2,3-bis(prop-2-enylidene)pyridine-4-carboxylic acid

(2E,3Z)-2,3-bis(prop-2-enylidene)pyridine-4-carboxylic acid (PubChem CID 143124965) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is (2E,3Z)-2,3-bis(prop-2-enylidene)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name(2E,3Z)-2,3-bis(prop-2-enylidene)pyridine-4-carboxylic acid
PubChem CID143124965
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name(2E,3Z)-2,3-bis(prop-2-enylidene)pyridine-4-carboxylic acid
SMILESC=C/C=c1/c(C(=O)O)ccn/c1=C/C=C
InChIInChI=1S/C12H11NO2/c1-3-5-9-10(12(14)15)7-8-13-11(9)6-4-2/h3-8H,1-2H2,(H,14,15)/b9-5-,11-6+
InChIKeyDLZGMKVPTLTEII-YCQMDOFOSA-N
XLogP0.71
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2E,3Z)-2,3-bis(prop-2-enylidene)pyridine-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

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2,3-bis(prop-2-enylidene)pyridine-4-carboxylic acid?
The IUPAC name of (2E,3Z)-2,3-bis(prop-2-enylidene)pyridine-4-carboxylic acid (CID 143124965) is (2E,3Z)-2,3-bis(prop-2-enylidene)pyridine-4-carboxylic acid.
What is the SMILES notation for (2E,3Z)-2,3-bis(prop-2-enylidene)pyridine-4-carboxylic acid?
The canonical SMILES for (2E,3Z)-2,3-bis(prop-2-enylidene)pyridine-4-carboxylic acid is C=C/C=c1/c(C(=O)O)ccn/c1=C/C=C.
What is the InChIKey of (2E,3Z)-2,3-bis(prop-2-enylidene)pyridine-4-carboxylic acid?
The InChIKey is DLZGMKVPTLTEII-YCQMDOFOSA-N. The full InChI is InChI=1S/C12H11NO2/c1-3-5-9-10(12(14)15)7-8-13-11(9)6-4-2/h3-8H,1-2H2,(H,14,15)/b9-5-,11-6+.
What are the key properties of (2E,3Z)-2,3-bis(prop-2-enylidene)pyridine-4-carboxylic acid?
(2E,3Z)-2,3-bis(prop-2-enylidene)pyridine-4-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2,3-bis(prop-2-enylidene)pyridine-4-carboxylic acid is sourced from PubChem (CID 143124965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).