(2Z,4E)-5-[2-(2,6-difluoro-3-pyridinyl)hydrazinyl]-4-(dimethylaminomethylidene)hexa-2,5-dienal

C14H16F2N4O — CID 137484328

IUPAC(2Z,4E)-5-[2-(2,6-difluoro-3-pyridinyl)hydrazinyl]-4-(dimethylaminomethylidene)hexa-2,5-dienal
SMILESC=C(NNc1ccc(F)nc1F)C(/C=C\C=O)=C/N(C)C
InChIInChI=1S/C14H16F2N4O/c1-10(11(5-4-8-21)9-20(2)3)18-19-12-6-7-13(15)17-14(12)16/h4-9,18-19H,1H2,2-3H3/b5-4-,11-9+
InChIKeyJUSOYKSDEKZGEH-JHGYFVHDSA-N
MW294.31 g/mol
LogP1.99
Rot. Bonds7

About (2Z,4E)-5-[2-(2,6-difluoro-3-pyridinyl)hydrazinyl]-4-(dimethylaminomethylidene)hexa-2,5-dienal

(2Z,4E)-5-[2-(2,6-difluoro-3-pyridinyl)hydrazinyl]-4-(dimethylaminomethylidene)hexa-2,5-dienal (PubChem CID 137484328) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is (2Z,4E)-5-[2-(2,6-difluoro-3-pyridinyl)hydrazinyl]-4-(dimethylaminomethylidene)hexa-2,5-dienal.

Molecular Properties

Compound Name(2Z,4E)-5-[2-(2,6-difluoro-3-pyridinyl)hydrazinyl]-4-(dimethylaminomethylidene)hexa-2,5-dienal
PubChem CID137484328
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name(2Z,4E)-5-[2-(2,6-difluoro-3-pyridinyl)hydrazinyl]-4-(dimethylaminomethylidene)hexa-2,5-dienal
SMILESC=C(NNc1ccc(F)nc1F)C(/C=C\C=O)=C/N(C)C
InChIInChI=1S/C14H16F2N4O/c1-10(11(5-4-8-21)9-20(2)3)18-19-12-6-7-13(15)17-14(12)16/h4-9,18-19H,1H2,2-3H3/b5-4-,11-9+
InChIKeyJUSOYKSDEKZGEH-JHGYFVHDSA-N
XLogP1.99
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-[2-(2,6-difluoro-3-pyridinyl)hydrazinyl]-4-(dimethylaminomethylidene)hexa-2,5-dienal?
The IUPAC name of (2Z,4E)-5-[2-(2,6-difluoro-3-pyridinyl)hydrazinyl]-4-(dimethylaminomethylidene)hexa-2,5-dienal (CID 137484328) is (2Z,4E)-5-[2-(2,6-difluoro-3-pyridinyl)hydrazinyl]-4-(dimethylaminomethylidene)hexa-2,5-dienal.
What is the SMILES notation for (2Z,4E)-5-[2-(2,6-difluoro-3-pyridinyl)hydrazinyl]-4-(dimethylaminomethylidene)hexa-2,5-dienal?
The canonical SMILES for (2Z,4E)-5-[2-(2,6-difluoro-3-pyridinyl)hydrazinyl]-4-(dimethylaminomethylidene)hexa-2,5-dienal is C=C(NNc1ccc(F)nc1F)C(/C=C\C=O)=C/N(C)C.
What is the InChIKey of (2Z,4E)-5-[2-(2,6-difluoro-3-pyridinyl)hydrazinyl]-4-(dimethylaminomethylidene)hexa-2,5-dienal?
The InChIKey is JUSOYKSDEKZGEH-JHGYFVHDSA-N. The full InChI is InChI=1S/C14H16F2N4O/c1-10(11(5-4-8-21)9-20(2)3)18-19-12-6-7-13(15)17-14(12)16/h4-9,18-19H,1H2,2-3H3/b5-4-,11-9+.
What are the key properties of (2Z,4E)-5-[2-(2,6-difluoro-3-pyridinyl)hydrazinyl]-4-(dimethylaminomethylidene)hexa-2,5-dienal?
(2Z,4E)-5-[2-(2,6-difluoro-3-pyridinyl)hydrazinyl]-4-(dimethylaminomethylidene)hexa-2,5-dienal has a molecular weight of 294.31 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-[2-(2,6-difluoro-3-pyridinyl)hydrazinyl]-4-(dimethylaminomethylidene)hexa-2,5-dienal is sourced from PubChem (CID 137484328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).