1-[(6-chloro-1-methyl-2H-pyridin-3-yl)methyl]-N-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-2-imine

C15H15ClF3N3 — CID 146384610

IUPAC1-[(6-chloro-1-methyl-2H-pyridin-3-yl)methyl]-N-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-2-imine
SMILESC=C(/N=c1\ccccn1CC1=CC=C(Cl)N(C)C1)C(F)(F)F
InChIInChI=1S/C15H15ClF3N3/c1-11(15(17,18)19)20-14-5-3-4-8-22(14)10-12-6-7-13(16)21(2)9-12/h3-8H,1,9-10H2,2H3/b20-14+
InChIKeyNXNALHXIZVBFMM-XSFVSMFZSA-N
MW329.75 g/mol
LogP3.42
Rot. Bonds3

About 1-[(6-chloro-1-methyl-2H-pyridin-3-yl)methyl]-N-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-2-imine

1-[(6-chloro-1-methyl-2H-pyridin-3-yl)methyl]-N-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-2-imine (PubChem CID 146384610) has the molecular formula C15H15ClF3N3 and a molecular weight of 329.75 g/mol. Its IUPAC name is 1-[(6-chloro-1-methyl-2H-pyridin-3-yl)methyl]-N-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-2-imine.

Molecular Properties

Compound Name1-[(6-chloro-1-methyl-2H-pyridin-3-yl)methyl]-N-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-2-imine
PubChem CID146384610
Molecular FormulaC15H15ClF3N3
Molecular Weight329.75 g/mol
Exact Mass329.09
IUPAC Name1-[(6-chloro-1-methyl-2H-pyridin-3-yl)methyl]-N-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-2-imine
SMILESC=C(/N=c1\ccccn1CC1=CC=C(Cl)N(C)C1)C(F)(F)F
InChIInChI=1S/C15H15ClF3N3/c1-11(15(17,18)19)20-14-5-3-4-8-22(14)10-12-6-7-13(16)21(2)9-12/h3-8H,1,9-10H2,2H3/b20-14+
InChIKeyNXNALHXIZVBFMM-XSFVSMFZSA-N
XLogP3.42
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-1-methyl-2H-pyridin-3-yl)methyl]-N-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-2-imine?
The IUPAC name of 1-[(6-chloro-1-methyl-2H-pyridin-3-yl)methyl]-N-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-2-imine (CID 146384610) is 1-[(6-chloro-1-methyl-2H-pyridin-3-yl)methyl]-N-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-2-imine.
What is the SMILES notation for 1-[(6-chloro-1-methyl-2H-pyridin-3-yl)methyl]-N-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-2-imine?
The canonical SMILES for 1-[(6-chloro-1-methyl-2H-pyridin-3-yl)methyl]-N-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-2-imine is C=C(/N=c1\ccccn1CC1=CC=C(Cl)N(C)C1)C(F)(F)F.
What is the InChIKey of 1-[(6-chloro-1-methyl-2H-pyridin-3-yl)methyl]-N-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-2-imine?
The InChIKey is NXNALHXIZVBFMM-XSFVSMFZSA-N. The full InChI is InChI=1S/C15H15ClF3N3/c1-11(15(17,18)19)20-14-5-3-4-8-22(14)10-12-6-7-13(16)21(2)9-12/h3-8H,1,9-10H2,2H3/b20-14+.
What are the key properties of 1-[(6-chloro-1-methyl-2H-pyridin-3-yl)methyl]-N-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-2-imine?
1-[(6-chloro-1-methyl-2H-pyridin-3-yl)methyl]-N-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-2-imine has a molecular weight of 329.75 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-1-methyl-2H-pyridin-3-yl)methyl]-N-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-2-imine is sourced from PubChem (CID 146384610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).