N-[(1E,3Z)-2-(2,5-dimethyl-3-pyridinyl)-6,6-difluorohexa-1,3-dienyl]methanimine

C14H16F2N2 — CID 134379286

IUPACN-[(1E,3Z)-2-(2,5-dimethyl-3-pyridinyl)-6,6-difluorohexa-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C/CC(F)F)c1cc(C)cnc1C
InChIInChI=1S/C14H16F2N2/c1-10-7-13(11(2)18-8-10)12(9-17-3)5-4-6-14(15)16/h4-5,7-9,14H,3,6H2,1-2H3/b5-4-,12-9+
InChIKeyMHGDIAYSEBZPDV-KVWUJKKISA-N
MW250.29 g/mol
LogP3.95
Rot. Bonds5

About N-[(1E,3Z)-2-(2,5-dimethyl-3-pyridinyl)-6,6-difluorohexa-1,3-dienyl]methanimine

N-[(1E,3Z)-2-(2,5-dimethyl-3-pyridinyl)-6,6-difluorohexa-1,3-dienyl]methanimine (PubChem CID 134379286) has the molecular formula C14H16F2N2 and a molecular weight of 250.29 g/mol. Its IUPAC name is N-[(1E,3Z)-2-(2,5-dimethyl-3-pyridinyl)-6,6-difluorohexa-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3Z)-2-(2,5-dimethyl-3-pyridinyl)-6,6-difluorohexa-1,3-dienyl]methanimine
PubChem CID134379286
Molecular FormulaC14H16F2N2
Molecular Weight250.29 g/mol
Exact Mass250.13
IUPAC NameN-[(1E,3Z)-2-(2,5-dimethyl-3-pyridinyl)-6,6-difluorohexa-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C/CC(F)F)c1cc(C)cnc1C
InChIInChI=1S/C14H16F2N2/c1-10-7-13(11(2)18-8-10)12(9-17-3)5-4-6-14(15)16/h4-5,7-9,14H,3,6H2,1-2H3/b5-4-,12-9+
InChIKeyMHGDIAYSEBZPDV-KVWUJKKISA-N
XLogP3.95
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-2-(2,5-dimethyl-3-pyridinyl)-6,6-difluorohexa-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3Z)-2-(2,5-dimethyl-3-pyridinyl)-6,6-difluorohexa-1,3-dienyl]methanimine (CID 134379286) is N-[(1E,3Z)-2-(2,5-dimethyl-3-pyridinyl)-6,6-difluorohexa-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3Z)-2-(2,5-dimethyl-3-pyridinyl)-6,6-difluorohexa-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3Z)-2-(2,5-dimethyl-3-pyridinyl)-6,6-difluorohexa-1,3-dienyl]methanimine is C=N/C=C(\C=C/CC(F)F)c1cc(C)cnc1C.
What is the InChIKey of N-[(1E,3Z)-2-(2,5-dimethyl-3-pyridinyl)-6,6-difluorohexa-1,3-dienyl]methanimine?
The InChIKey is MHGDIAYSEBZPDV-KVWUJKKISA-N. The full InChI is InChI=1S/C14H16F2N2/c1-10-7-13(11(2)18-8-10)12(9-17-3)5-4-6-14(15)16/h4-5,7-9,14H,3,6H2,1-2H3/b5-4-,12-9+.
What are the key properties of N-[(1E,3Z)-2-(2,5-dimethyl-3-pyridinyl)-6,6-difluorohexa-1,3-dienyl]methanimine?
N-[(1E,3Z)-2-(2,5-dimethyl-3-pyridinyl)-6,6-difluorohexa-1,3-dienyl]methanimine has a molecular weight of 250.29 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-2-(2,5-dimethyl-3-pyridinyl)-6,6-difluorohexa-1,3-dienyl]methanimine is sourced from PubChem (CID 134379286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).