(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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Related Compounds

(E)-1-(2,5-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine
CID 141214714
8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-1-(6-fluoro-2,5-dimethyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanimine
CID 168962652
4-[(Z)-(2-methylpropan-2-yl)oxyiminomethyl]benzene-1,3-disulfonic acid
CID 166706711
2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine
CID 130094266
N-[(2-methylpropan-2-yl)oxy]-1-pyridin-2-ylmethanimine
CID 141131461
(E)-1-(5-methoxy-2-thiophen-2-ylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine
CID 59827815
3,6-difluoro-5-methylpyridin-2-amine
CID 135201533
4-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]benzonitrile
CID 121013328
3,6-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine
CID 10608131
(E)-1-(4-tert-butyl-2,6-difluorophenyl)-N-methoxymethanimine
CID 88954266
ethyl 3-(6-fluoro-5-methyl-3-pyridinyl)prop-2-enoate
CID 169480130
(E)-N-[(2-methylpropan-2-yl)oxy]-1-(4-nitrophenyl)methanimine
CID 12969860

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).