(3E)-3-[(Z)-hex-2-enylidene]-4-hydroxy-2H-pyridine-5-carboxylic acid

C12H15NO3 — CID 137180123

IUPAC(3E)-3-[(Z)-hex-2-enylidene]-4-hydroxy-2H-pyridine-5-carboxylic acid
SMILESCCC/C=C\C=C1/CN=CC(C(=O)O)=C1O
InChIInChI=1S/C12H15NO3/c1-2-3-4-5-6-9-7-13-8-10(11(9)14)12(15)16/h4-6,8,14H,2-3,7H2,1H3,(H,15,16)/b5-4-,9-6+
InChIKeyCMEAUVNFHOHZBZ-KMOPYBJPSA-N
MW221.26 g/mol
LogP2.25
Rot. Bonds4

About (3E)-3-[(Z)-hex-2-enylidene]-4-hydroxy-2H-pyridine-5-carboxylic acid

(3E)-3-[(Z)-hex-2-enylidene]-4-hydroxy-2H-pyridine-5-carboxylic acid (PubChem CID 137180123) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (3E)-3-[(Z)-hex-2-enylidene]-4-hydroxy-2H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name(3E)-3-[(Z)-hex-2-enylidene]-4-hydroxy-2H-pyridine-5-carboxylic acid
PubChem CID137180123
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(3E)-3-[(Z)-hex-2-enylidene]-4-hydroxy-2H-pyridine-5-carboxylic acid
SMILESCCC/C=C\C=C1/CN=CC(C(=O)O)=C1O
InChIInChI=1S/C12H15NO3/c1-2-3-4-5-6-9-7-13-8-10(11(9)14)12(15)16/h4-6,8,14H,2-3,7H2,1H3,(H,15,16)/b5-4-,9-6+
InChIKeyCMEAUVNFHOHZBZ-KMOPYBJPSA-N
XLogP2.25
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(Z)-hex-2-enylidene]-4-hydroxy-2H-pyridine-5-carboxylic acid?
The IUPAC name of (3E)-3-[(Z)-hex-2-enylidene]-4-hydroxy-2H-pyridine-5-carboxylic acid (CID 137180123) is (3E)-3-[(Z)-hex-2-enylidene]-4-hydroxy-2H-pyridine-5-carboxylic acid.
What is the SMILES notation for (3E)-3-[(Z)-hex-2-enylidene]-4-hydroxy-2H-pyridine-5-carboxylic acid?
The canonical SMILES for (3E)-3-[(Z)-hex-2-enylidene]-4-hydroxy-2H-pyridine-5-carboxylic acid is CCC/C=C\C=C1/CN=CC(C(=O)O)=C1O.
What is the InChIKey of (3E)-3-[(Z)-hex-2-enylidene]-4-hydroxy-2H-pyridine-5-carboxylic acid?
The InChIKey is CMEAUVNFHOHZBZ-KMOPYBJPSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-3-4-5-6-9-7-13-8-10(11(9)14)12(15)16/h4-6,8,14H,2-3,7H2,1H3,(H,15,16)/b5-4-,9-6+.
What are the key properties of (3E)-3-[(Z)-hex-2-enylidene]-4-hydroxy-2H-pyridine-5-carboxylic acid?
(3E)-3-[(Z)-hex-2-enylidene]-4-hydroxy-2H-pyridine-5-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(Z)-hex-2-enylidene]-4-hydroxy-2H-pyridine-5-carboxylic acid is sourced from PubChem (CID 137180123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).