N-[(Z)-2-(3-fluoro-5-methyl-2H-pyridin-1-yl)ethenyl]methanimine

C9H11FN2 — CID 134485393

IUPACN-[(Z)-2-(3-fluoro-5-methyl-2H-pyridin-1-yl)ethenyl]methanimine
SMILESC=N/C=C\N1C=C(C)C=C(F)C1
InChIInChI=1S/C9H11FN2/c1-8-5-9(10)7-12(6-8)4-3-11-2/h3-6H,2,7H2,1H3/b4-3-
InChIKeyCWLDAQODECCHQG-ARJAWSKDSA-N
MW166.20 g/mol
LogP2.23
Rot. Bonds2

About N-[(Z)-2-(3-fluoro-5-methyl-2H-pyridin-1-yl)ethenyl]methanimine

N-[(Z)-2-(3-fluoro-5-methyl-2H-pyridin-1-yl)ethenyl]methanimine (PubChem CID 134485393) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is N-[(Z)-2-(3-fluoro-5-methyl-2H-pyridin-1-yl)ethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-(3-fluoro-5-methyl-2H-pyridin-1-yl)ethenyl]methanimine
PubChem CID134485393
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC NameN-[(Z)-2-(3-fluoro-5-methyl-2H-pyridin-1-yl)ethenyl]methanimine
SMILESC=N/C=C\N1C=C(C)C=C(F)C1
InChIInChI=1S/C9H11FN2/c1-8-5-9(10)7-12(6-8)4-3-11-2/h3-6H,2,7H2,1H3/b4-3-
InChIKeyCWLDAQODECCHQG-ARJAWSKDSA-N
XLogP2.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 52.23
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)-2-(3-fluoro-5-methyl-2H-pyridin-1-yl)ethenyl]methanimine?
The IUPAC name of N-[(Z)-2-(3-fluoro-5-methyl-2H-pyridin-1-yl)ethenyl]methanimine (CID 134485393) is N-[(Z)-2-(3-fluoro-5-methyl-2H-pyridin-1-yl)ethenyl]methanimine.
What is the SMILES notation for N-[(Z)-2-(3-fluoro-5-methyl-2H-pyridin-1-yl)ethenyl]methanimine?
The canonical SMILES for N-[(Z)-2-(3-fluoro-5-methyl-2H-pyridin-1-yl)ethenyl]methanimine is C=N/C=C\N1C=C(C)C=C(F)C1.
What is the InChIKey of N-[(Z)-2-(3-fluoro-5-methyl-2H-pyridin-1-yl)ethenyl]methanimine?
The InChIKey is CWLDAQODECCHQG-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H11FN2/c1-8-5-9(10)7-12(6-8)4-3-11-2/h3-6H,2,7H2,1H3/b4-3-.
What are the key properties of N-[(Z)-2-(3-fluoro-5-methyl-2H-pyridin-1-yl)ethenyl]methanimine?
N-[(Z)-2-(3-fluoro-5-methyl-2H-pyridin-1-yl)ethenyl]methanimine has a molecular weight of 166.20 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(3-fluoro-5-methyl-2H-pyridin-1-yl)ethenyl]methanimine is sourced from PubChem (CID 134485393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).