N-[(Z)-1-chloro-2-(2,6-dichloro-5-methylpyrimidin-4-yl)-2-fluoroethenyl]methanimine

C8H5Cl3FN3 — CID 167120102

IUPACN-[(Z)-1-chloro-2-(2,6-dichloro-5-methylpyrimidin-4-yl)-2-fluoroethenyl]methanimine
SMILESC=N/C(Cl)=C(/F)c1nc(Cl)nc(Cl)c1C
InChIInChI=1S/C8H5Cl3FN3/c1-3-5(4(12)7(10)13-2)14-8(11)15-6(3)9/h2H2,1H3/b7-4+
InChIKeyWYYWVFFVZSYQMT-QPJJXVBHSA-N
MW268.51 g/mol
LogP3.63
Rot. Bonds2

About N-[(Z)-1-chloro-2-(2,6-dichloro-5-methylpyrimidin-4-yl)-2-fluoroethenyl]methanimine

N-[(Z)-1-chloro-2-(2,6-dichloro-5-methylpyrimidin-4-yl)-2-fluoroethenyl]methanimine (PubChem CID 167120102) has the molecular formula C8H5Cl3FN3 and a molecular weight of 268.51 g/mol. Its IUPAC name is N-[(Z)-1-chloro-2-(2,6-dichloro-5-methylpyrimidin-4-yl)-2-fluoroethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-1-chloro-2-(2,6-dichloro-5-methylpyrimidin-4-yl)-2-fluoroethenyl]methanimine
PubChem CID167120102
Molecular FormulaC8H5Cl3FN3
Molecular Weight268.51 g/mol
Exact Mass266.95
IUPAC NameN-[(Z)-1-chloro-2-(2,6-dichloro-5-methylpyrimidin-4-yl)-2-fluoroethenyl]methanimine
SMILESC=N/C(Cl)=C(/F)c1nc(Cl)nc(Cl)c1C
InChIInChI=1S/C8H5Cl3FN3/c1-3-5(4(12)7(10)13-2)14-8(11)15-6(3)9/h2H2,1H3/b7-4+
InChIKeyWYYWVFFVZSYQMT-QPJJXVBHSA-N
XLogP3.63
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.51
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-chloro-2-(2,6-dichloro-5-methylpyrimidin-4-yl)-2-fluoroethenyl]methanimine?
The IUPAC name of N-[(Z)-1-chloro-2-(2,6-dichloro-5-methylpyrimidin-4-yl)-2-fluoroethenyl]methanimine (CID 167120102) is N-[(Z)-1-chloro-2-(2,6-dichloro-5-methylpyrimidin-4-yl)-2-fluoroethenyl]methanimine.
What is the SMILES notation for N-[(Z)-1-chloro-2-(2,6-dichloro-5-methylpyrimidin-4-yl)-2-fluoroethenyl]methanimine?
The canonical SMILES for N-[(Z)-1-chloro-2-(2,6-dichloro-5-methylpyrimidin-4-yl)-2-fluoroethenyl]methanimine is C=N/C(Cl)=C(/F)c1nc(Cl)nc(Cl)c1C.
What is the InChIKey of N-[(Z)-1-chloro-2-(2,6-dichloro-5-methylpyrimidin-4-yl)-2-fluoroethenyl]methanimine?
The InChIKey is WYYWVFFVZSYQMT-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H5Cl3FN3/c1-3-5(4(12)7(10)13-2)14-8(11)15-6(3)9/h2H2,1H3/b7-4+.
What are the key properties of N-[(Z)-1-chloro-2-(2,6-dichloro-5-methylpyrimidin-4-yl)-2-fluoroethenyl]methanimine?
N-[(Z)-1-chloro-2-(2,6-dichloro-5-methylpyrimidin-4-yl)-2-fluoroethenyl]methanimine has a molecular weight of 268.51 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-chloro-2-(2,6-dichloro-5-methylpyrimidin-4-yl)-2-fluoroethenyl]methanimine is sourced from PubChem (CID 167120102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).