(Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine

C12H17FN2O — CID 168962653

IUPAC(Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine
SMILESCc1cc(/C=N\OC(C)(C)C)c(C)nc1F
InChIInChI=1S/C12H17FN2O/c1-8-6-10(9(2)15-11(8)13)7-14-16-12(3,4)5/h6-7H,1-5H3/b14-7-
InChIKeyQUPOCIVMYJBSFW-AUWJEWJLSA-N
MW224.28 g/mol
LogP2.99
Rot. Bonds2

About (Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine

(Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine (PubChem CID 168962653) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is (Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine.

Molecular Properties

Compound Name(Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine
PubChem CID168962653
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name(Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine
SMILESCc1cc(/C=N\OC(C)(C)C)c(C)nc1F
InChIInChI=1S/C12H17FN2O/c1-8-6-10(9(2)15-11(8)13)7-14-16-12(3,4)5/h6-7H,1-5H3/b14-7-
InChIKeyQUPOCIVMYJBSFW-AUWJEWJLSA-N
XLogP2.99
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine?
The IUPAC name of (Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine (CID 168962653) is (Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine.
What is the SMILES notation for (Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine?
The canonical SMILES for (Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine is Cc1cc(/C=N\OC(C)(C)C)c(C)nc1F.
What is the InChIKey of (Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine?
The InChIKey is QUPOCIVMYJBSFW-AUWJEWJLSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-8-6-10(9(2)15-11(8)13)7-14-16-12(3,4)5/h6-7H,1-5H3/b14-7-.
What are the key properties of (Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine?
(Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine has a molecular weight of 224.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine is sourced from PubChem (CID 168962653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).