(5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid

C12H13NO2 — CID 144582185

IUPAC(5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid
SMILESC=C/C=c1/ncc(C(=O)O)c/c1=C/CC
InChIInChI=1S/C12H13NO2/c1-3-5-9-7-10(12(14)15)8-13-11(9)6-4-2/h4-8H,2-3H2,1H3,(H,14,15)/b9-5-,11-6+
InChIKeyYJZFHFCLERNQCX-YCQMDOFOSA-N
MW203.24 g/mol
LogP0.94
Rot. Bonds3

About (5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid

(5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid (PubChem CID 144582185) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid.

Molecular Properties

Compound Name(5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid
PubChem CID144582185
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid
SMILESC=C/C=c1/ncc(C(=O)O)c/c1=C/CC
InChIInChI=1S/C12H13NO2/c1-3-5-9-7-10(12(14)15)8-13-11(9)6-4-2/h4-8H,2-3H2,1H3,(H,14,15)/b9-5-,11-6+
InChIKeyYJZFHFCLERNQCX-YCQMDOFOSA-N
XLogP0.94
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2E)-2-fluoro-4-[[(2Z,4Z)-2,3,5-trimethylhepta-2,4,6-trienylidene]amino]penta-2,4-dienoic acid
CID 123507515
1H-pyrido[4,3-b]indole-8-carboxylic acid
CID 23510174
9-(hydroxymethyl)-8H-cyclohepta[b]pyridine-3-carboxylic acid
CID 91339821
2-(3-methyl-3H-pyridin-2-ylidene)but-3-enoic acid
CID 123566270
Methyl 5,6-di(ethylidene)pyridine-3-carboxylate
CID 123728530
2-cyclohepta-1,3,6-trien-1-yl-4H-azepine-6-carboxylic acid
CID 123936713
(Z,2E)-2-ethylidene-5-methyliminopent-3-enoic acid
CID 124175261
(Z,2E)-2-(2-methyliminoethylidene)pent-3-enoic acid
CID 126486824
(3E)-3-[(Z)-hex-2-enylidene]-4-hydroxy-2H-pyridine-5-carboxylic acid
CID 137180123
2-(2H-pyridin-3-ylidene)propanoic acid
CID 140510678
Cyclopenta[f]indole-7-carboxylic acid;hydrochloride
CID 141366478
6,6-Dimethylazepine-2-carboxylic acid
CID 142042447

Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid?
The IUPAC name of (5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid (CID 144582185) is (5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid.
What is the SMILES notation for (5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid?
The canonical SMILES for (5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid is C=C/C=c1/ncc(C(=O)O)c/c1=C/CC.
What is the InChIKey of (5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid?
The InChIKey is YJZFHFCLERNQCX-YCQMDOFOSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-5-9-7-10(12(14)15)8-13-11(9)6-4-2/h4-8H,2-3H2,1H3,(H,14,15)/b9-5-,11-6+.
What are the key properties of (5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid?
(5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid has a molecular weight of 203.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid is sourced from PubChem (CID 144582185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).