N-[(2Z)-2-ethylidene-4,5-difluoro-1-pyridinyl]methanimine

C8H8F2N2 — CID 177355849

IUPACN-[(2Z)-2-ethylidene-4,5-difluoro-1-pyridinyl]methanimine
SMILESC=NN1C=C(F)C(F)=C/C1=C/C
InChIInChI=1S/C8H8F2N2/c1-3-6-4-7(9)8(10)5-12(6)11-2/h3-5H,2H2,1H3/b6-3-
InChIKeySSXWEJDCYZMSCE-UTCJRWHESA-N
MW170.16 g/mol
LogP2.49
Rot. Bonds1

About N-[(2Z)-2-ethylidene-4,5-difluoro-1-pyridinyl]methanimine

N-[(2Z)-2-ethylidene-4,5-difluoro-1-pyridinyl]methanimine (PubChem CID 177355849) has the molecular formula C8H8F2N2 and a molecular weight of 170.16 g/mol. Its IUPAC name is N-[(2Z)-2-ethylidene-4,5-difluoro-1-pyridinyl]methanimine.

Molecular Properties

Compound NameN-[(2Z)-2-ethylidene-4,5-difluoro-1-pyridinyl]methanimine
PubChem CID177355849
Molecular FormulaC8H8F2N2
Molecular Weight170.16 g/mol
Exact Mass170.07
IUPAC NameN-[(2Z)-2-ethylidene-4,5-difluoro-1-pyridinyl]methanimine
SMILESC=NN1C=C(F)C(F)=C/C1=C/C
InChIInChI=1S/C8H8F2N2/c1-3-6-4-7(9)8(10)5-12(6)11-2/h3-5H,2H2,1H3/b6-3-
InChIKeySSXWEJDCYZMSCE-UTCJRWHESA-N
XLogP2.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-ethylidene-4,5-difluoro-1-pyridinyl]methanimine?
The IUPAC name of N-[(2Z)-2-ethylidene-4,5-difluoro-1-pyridinyl]methanimine (CID 177355849) is N-[(2Z)-2-ethylidene-4,5-difluoro-1-pyridinyl]methanimine.
What is the SMILES notation for N-[(2Z)-2-ethylidene-4,5-difluoro-1-pyridinyl]methanimine?
The canonical SMILES for N-[(2Z)-2-ethylidene-4,5-difluoro-1-pyridinyl]methanimine is C=NN1C=C(F)C(F)=C/C1=C/C.
What is the InChIKey of N-[(2Z)-2-ethylidene-4,5-difluoro-1-pyridinyl]methanimine?
The InChIKey is SSXWEJDCYZMSCE-UTCJRWHESA-N. The full InChI is InChI=1S/C8H8F2N2/c1-3-6-4-7(9)8(10)5-12(6)11-2/h3-5H,2H2,1H3/b6-3-.
What are the key properties of N-[(2Z)-2-ethylidene-4,5-difluoro-1-pyridinyl]methanimine?
N-[(2Z)-2-ethylidene-4,5-difluoro-1-pyridinyl]methanimine has a molecular weight of 170.16 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-ethylidene-4,5-difluoro-1-pyridinyl]methanimine is sourced from PubChem (CID 177355849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).