N,N'-dimethyl-4-(trifluoromethyl)pyridine-2-carboximidamide

C9H10F3N3 — CID 118392768

IUPACN,N'-dimethyl-4-(trifluoromethyl)pyridine-2-carboximidamide
SMILESC/N=C(\NC)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C9H10F3N3/c1-13-8(14-2)7-5-6(3-4-15-7)9(10,11)12/h3-5H,1-2H3,(H,13,14)
InChIKeyDDYDBGFKSUVQJR-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.70
Rot. Bonds1

About N,N'-dimethyl-4-(trifluoromethyl)pyridine-2-carboximidamide

N,N'-dimethyl-4-(trifluoromethyl)pyridine-2-carboximidamide (PubChem CID 118392768) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is N,N'-dimethyl-4-(trifluoromethyl)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN,N'-dimethyl-4-(trifluoromethyl)pyridine-2-carboximidamide
PubChem CID118392768
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC NameN,N'-dimethyl-4-(trifluoromethyl)pyridine-2-carboximidamide
SMILESC/N=C(\NC)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C9H10F3N3/c1-13-8(14-2)7-5-6(3-4-15-7)9(10,11)12/h3-5H,1-2H3,(H,13,14)
InChIKeyDDYDBGFKSUVQJR-UHFFFAOYSA-N
XLogP1.70
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(trifluoromethyl)pyridine-2-carbohydrazide
CID 90455852
N-methyl-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 175492104
propan-2-yl 4-(trifluoromethyl)pyridine-2-carboxylate
CID 133058578
(NE)-N-[1,2,4-triazol-1-yl-[4-(trifluoromethyl)-2-pyridinyl]methylidene]hydroxylamine
CID 135894339
N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-4-(trifluoromethyl)pyridine-2-carboximidamide;ethane
CID 144678118
[4-(trifluoromethyl)-2-pyridinyl]phosphane
CID 143994599
2-methyl-4-(trifluoromethyl)pyridine;propane
CID 143330484
methyl-[4-(trifluoromethyl)-2-pyridinyl]phosphane
CID 145124563
N-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 129189538
2,2,2-trifluoro-1-[2-(N-hydroxy-C-methylcarbonimidoyl)-4-pyridinyl]ethane-1,1-diol
CID 137251918
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
2-[4-(trifluoromethyl)-2-pyridinyl]propan-2-amine
CID 115009349

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-4-(trifluoromethyl)pyridine-2-carboximidamide?
The IUPAC name of N,N'-dimethyl-4-(trifluoromethyl)pyridine-2-carboximidamide (CID 118392768) is N,N'-dimethyl-4-(trifluoromethyl)pyridine-2-carboximidamide.
What is the SMILES notation for N,N'-dimethyl-4-(trifluoromethyl)pyridine-2-carboximidamide?
The canonical SMILES for N,N'-dimethyl-4-(trifluoromethyl)pyridine-2-carboximidamide is C/N=C(\NC)c1cc(C(F)(F)F)ccn1.
What is the InChIKey of N,N'-dimethyl-4-(trifluoromethyl)pyridine-2-carboximidamide?
The InChIKey is DDYDBGFKSUVQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c1-13-8(14-2)7-5-6(3-4-15-7)9(10,11)12/h3-5H,1-2H3,(H,13,14).
What are the key properties of N,N'-dimethyl-4-(trifluoromethyl)pyridine-2-carboximidamide?
N,N'-dimethyl-4-(trifluoromethyl)pyridine-2-carboximidamide has a molecular weight of 217.19 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-4-(trifluoromethyl)pyridine-2-carboximidamide is sourced from PubChem (CID 118392768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).