N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine

C11H11F3N2 — CID 103704435

IUPACN-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine
SMILESC#CCCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C11H11F3N2/c1-2-3-4-7-15-10-9(11(12,13)14)6-5-8-16-10/h1,5-6,8H,3-4,7H2,(H,15,16)
InChIKeyFMBDXEUPWKUPOD-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.93
Rot. Bonds4

About N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine

N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 103704435) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine
PubChem CID103704435
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC NameN-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine
SMILESC#CCCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C11H11F3N2/c1-2-3-4-7-15-10-9(11(12,13)14)6-5-8-16-10/h1,5-6,8H,3-4,7H2,(H,15,16)
InChIKeyFMBDXEUPWKUPOD-UHFFFAOYSA-N
XLogP2.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107302474
6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol
CID 103918216
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841
N-cyclopropyl-N'-[3-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine
CID 43599663
N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 115579994
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 54943560
N-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyridin-2-amine
CID 115628581
N-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 43443470
N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 63536770
N-[2-(2-aminoethoxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 55242565

Frequently Asked Questions

What is the IUPAC name of N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine (CID 103704435) is N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine is C#CCCCNc1ncccc1C(F)(F)F.
What is the InChIKey of N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FMBDXEUPWKUPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2/c1-2-3-4-7-15-10-9(11(12,13)14)6-5-8-16-10/h1,5-6,8H,3-4,7H2,(H,15,16).
What are the key properties of N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine?
N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 228.22 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 103704435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).