N-[amino-[(6-chloro-3-pyridinyl)methyl-methylamino]methylidene]-2,2,2-trifluoroacetamide

C10H10ClF3N4O — CID 15030450

IUPACN-[amino-[(6-chloro-3-pyridinyl)methyl-methylamino]methylidene]-2,2,2-trifluoroacetamide
SMILESCN(Cc1ccc(Cl)nc1)/C(N)=N/C(=O)C(F)(F)F
InChIInChI=1S/C10H10ClF3N4O/c1-18(5-6-2-3-7(11)16-4-6)9(15)17-8(19)10(12,13)14/h2-4H,5H2,1H3,(H2,15,17,19)
InChIKeyJMLACBCSKIXLPD-UHFFFAOYSA-N
MW294.66 g/mol
LogP1.57
Rot. Bonds2

About N-[amino-[(6-chloro-3-pyridinyl)methyl-methylamino]methylidene]-2,2,2-trifluoroacetamide

N-[amino-[(6-chloro-3-pyridinyl)methyl-methylamino]methylidene]-2,2,2-trifluoroacetamide (PubChem CID 15030450) has the molecular formula C10H10ClF3N4O and a molecular weight of 294.66 g/mol. Its IUPAC name is N-[amino-[(6-chloro-3-pyridinyl)methyl-methylamino]methylidene]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[amino-[(6-chloro-3-pyridinyl)methyl-methylamino]methylidene]-2,2,2-trifluoroacetamide
PubChem CID15030450
Molecular FormulaC10H10ClF3N4O
Molecular Weight294.66 g/mol
Exact Mass294.05
IUPAC NameN-[amino-[(6-chloro-3-pyridinyl)methyl-methylamino]methylidene]-2,2,2-trifluoroacetamide
SMILESCN(Cc1ccc(Cl)nc1)/C(N)=N/C(=O)C(F)(F)F
InChIInChI=1S/C10H10ClF3N4O/c1-18(5-6-2-3-7(11)16-4-6)9(15)17-8(19)10(12,13)14/h2-4H,5H2,1H3,(H2,15,17,19)
InChIKeyJMLACBCSKIXLPD-UHFFFAOYSA-N
XLogP1.57
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-((6-Chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide
CID 213021
Desnitro-imidacloprid
CID 10130527
Acetamiprid metabolite (IM-1-5)
CID 19967186
1H-Imidazol-2-amine, 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitroso-
CID 183033
N-[(6-chloropyridin-3-yl)methyl]-N-methylacetamide
CID 59843549
Thiacloprid amide
CID 86222983
(E)-N-((6-chloropyridin-3-yl)methyl)-N'-cyanoethanimidamide
CID 11344811
N'-Carbamoyl-N-((6-chloro-3-pyridinyl)methyl)-N-methylethanimidamide
CID 73325014
2-CL-pyridine,cyanoguanidyl derivative
CID 9837580
1-(6-Chloro-3-pyridyl)methyl-2-iminopyrrolidine
CID 9794312
1-[(6-Chloro-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-1,3-diazepin-2-amine
CID 9942802
1-[(6-Chloro-3-pyridinyl)methyl]piperidin-2-imine
CID 10176882

Frequently Asked Questions

What is the IUPAC name of N-[amino-[(6-chloro-3-pyridinyl)methyl-methylamino]methylidene]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[amino-[(6-chloro-3-pyridinyl)methyl-methylamino]methylidene]-2,2,2-trifluoroacetamide (CID 15030450) is N-[amino-[(6-chloro-3-pyridinyl)methyl-methylamino]methylidene]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[amino-[(6-chloro-3-pyridinyl)methyl-methylamino]methylidene]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[amino-[(6-chloro-3-pyridinyl)methyl-methylamino]methylidene]-2,2,2-trifluoroacetamide is CN(Cc1ccc(Cl)nc1)/C(N)=N/C(=O)C(F)(F)F.
What is the InChIKey of N-[amino-[(6-chloro-3-pyridinyl)methyl-methylamino]methylidene]-2,2,2-trifluoroacetamide?
The InChIKey is JMLACBCSKIXLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N4O/c1-18(5-6-2-3-7(11)16-4-6)9(15)17-8(19)10(12,13)14/h2-4H,5H2,1H3,(H2,15,17,19).
What are the key properties of N-[amino-[(6-chloro-3-pyridinyl)methyl-methylamino]methylidene]-2,2,2-trifluoroacetamide?
N-[amino-[(6-chloro-3-pyridinyl)methyl-methylamino]methylidene]-2,2,2-trifluoroacetamide has a molecular weight of 294.66 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[(6-chloro-3-pyridinyl)methyl-methylamino]methylidene]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 15030450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).