N'-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylmethanimidamide

C10H12ClF3N4 — CID 121237637

IUPACN'-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/N(C)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C10H12ClF3N4/c1-17(2)6-15-18(3)9-5-7(10(12,13)14)4-8(11)16-9/h4-6H,1-3H3/b15-6+
InChIKeyONFVZRQQJOLJBF-GIDUJCDVSA-N
MW280.68 g/mol
LogP2.69
Rot. Bonds3

About N'-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylmethanimidamide

N'-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylmethanimidamide (PubChem CID 121237637) has the molecular formula C10H12ClF3N4 and a molecular weight of 280.68 g/mol. Its IUPAC name is N'-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylmethanimidamide
PubChem CID121237637
Molecular FormulaC10H12ClF3N4
Molecular Weight280.68 g/mol
Exact Mass280.07
IUPAC NameN'-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/N(C)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C10H12ClF3N4/c1-17(2)6-15-18(3)9-5-7(10(12,13)14)4-8(11)16-9/h4-6H,1-3H3/b15-6+
InChIKeyONFVZRQQJOLJBF-GIDUJCDVSA-N
XLogP2.69
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 52.69
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': 'imine_2', '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 N'-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylmethanimidamide (CID 121237637) is N'-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylmethanimidamide is CN(C)/C=N/N(C)c1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of N'-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylmethanimidamide?
The InChIKey is ONFVZRQQJOLJBF-GIDUJCDVSA-N. The full InChI is InChI=1S/C10H12ClF3N4/c1-17(2)6-15-18(3)9-5-7(10(12,13)14)4-8(11)16-9/h4-6H,1-3H3/b15-6+.
What are the key properties of N'-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylmethanimidamide?
N'-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylmethanimidamide has a molecular weight of 280.68 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 121237637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).