N-[(Z)-(1-ethyl-3-fluoro-4-methyl-2-pyridinylidene)methyl]methanimine

C10H13FN2 — CID 176566996

IUPACN-[(Z)-(1-ethyl-3-fluoro-4-methyl-2-pyridinylidene)methyl]methanimine
SMILESC=N/C=C1/C(F)=C(C)C=CN1CC
InChIInChI=1S/C10H13FN2/c1-4-13-6-5-8(2)10(11)9(13)7-12-3/h5-7H,3-4H2,1-2H3/b9-7-
InChIKeyOSJWRYYDXVYJPX-CLFYSBASSA-N
MW180.23 g/mol
LogP2.62
Rot. Bonds2

About N-[(Z)-(1-ethyl-3-fluoro-4-methyl-2-pyridinylidene)methyl]methanimine

N-[(Z)-(1-ethyl-3-fluoro-4-methyl-2-pyridinylidene)methyl]methanimine (PubChem CID 176566996) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is N-[(Z)-(1-ethyl-3-fluoro-4-methyl-2-pyridinylidene)methyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-(1-ethyl-3-fluoro-4-methyl-2-pyridinylidene)methyl]methanimine
PubChem CID176566996
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC NameN-[(Z)-(1-ethyl-3-fluoro-4-methyl-2-pyridinylidene)methyl]methanimine
SMILESC=N/C=C1/C(F)=C(C)C=CN1CC
InChIInChI=1S/C10H13FN2/c1-4-13-6-5-8(2)10(11)9(13)7-12-3/h5-7H,3-4H2,1-2H3/b9-7-
InChIKeyOSJWRYYDXVYJPX-CLFYSBASSA-N
XLogP2.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.62
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-[(Z)-(1-ethyl-3-fluoro-4-methyl-2-pyridinylidene)methyl]methanimine?
The IUPAC name of N-[(Z)-(1-ethyl-3-fluoro-4-methyl-2-pyridinylidene)methyl]methanimine (CID 176566996) is N-[(Z)-(1-ethyl-3-fluoro-4-methyl-2-pyridinylidene)methyl]methanimine.
What is the SMILES notation for N-[(Z)-(1-ethyl-3-fluoro-4-methyl-2-pyridinylidene)methyl]methanimine?
The canonical SMILES for N-[(Z)-(1-ethyl-3-fluoro-4-methyl-2-pyridinylidene)methyl]methanimine is C=N/C=C1/C(F)=C(C)C=CN1CC.
What is the InChIKey of N-[(Z)-(1-ethyl-3-fluoro-4-methyl-2-pyridinylidene)methyl]methanimine?
The InChIKey is OSJWRYYDXVYJPX-CLFYSBASSA-N. The full InChI is InChI=1S/C10H13FN2/c1-4-13-6-5-8(2)10(11)9(13)7-12-3/h5-7H,3-4H2,1-2H3/b9-7-.
What are the key properties of N-[(Z)-(1-ethyl-3-fluoro-4-methyl-2-pyridinylidene)methyl]methanimine?
N-[(Z)-(1-ethyl-3-fluoro-4-methyl-2-pyridinylidene)methyl]methanimine has a molecular weight of 180.23 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-ethyl-3-fluoro-4-methyl-2-pyridinylidene)methyl]methanimine is sourced from PubChem (CID 176566996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).