N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine

C9H7F3N2 — CID 45158546

IUPACN-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine
SMILESC#CCNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C9H7F3N2/c1-2-4-13-8-6-7(3-5-14-8)9(10,11)12/h1,3,5-6H,4H2,(H,13,14)
InChIKeyWWBMUFRFOKDOPX-UHFFFAOYSA-N
MW200.16 g/mol
LogP2.15
Rot. Bonds2

About N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine

N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 45158546) has the molecular formula C9H7F3N2 and a molecular weight of 200.16 g/mol. Its IUPAC name is N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID45158546
Molecular FormulaC9H7F3N2
Molecular Weight200.16 g/mol
Exact Mass200.06
IUPAC NameN-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine
SMILESC#CCNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C9H7F3N2/c1-2-4-13-8-6-7(3-5-14-8)9(10,11)12/h1,3,5-6H,4H2,(H,13,14)
InChIKeyWWBMUFRFOKDOPX-UHFFFAOYSA-N
XLogP2.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115681101
N-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115363721
N-methyl-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 175492104
N-octyl-4-(trifluoromethyl)pyridin-2-amine
CID 115568897
N-(2-ethoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 114943044
N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328524
4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 66329465
N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330886
N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107320732
1-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 66330056
4,4-dimethyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 103736559
N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66328284

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine (CID 45158546) is N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine is C#CCNc1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WWBMUFRFOKDOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2/c1-2-4-13-8-6-7(3-5-14-8)9(10,11)12/h1,3,5-6H,4H2,(H,13,14).
What are the key properties of N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine?
N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 200.16 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 45158546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).