3,5,6-trifluoro-N-pent-4-ynylpyridin-2-amine

C10H9F3N2 — CID 106223086

IUPAC3,5,6-trifluoro-N-pent-4-ynylpyridin-2-amine
SMILESC#CCCCNc1nc(F)c(F)cc1F
InChIInChI=1S/C10H9F3N2/c1-2-3-4-5-14-10-8(12)6-7(11)9(13)15-10/h1,6H,3-5H2,(H,14,15)
InChIKeyAOQGCLGZVNDMAC-UHFFFAOYSA-N
MW214.19 g/mol
LogP2.32
Rot. Bonds4

About 3,5,6-trifluoro-N-pent-4-ynylpyridin-2-amine

3,5,6-trifluoro-N-pent-4-ynylpyridin-2-amine (PubChem CID 106223086) has the molecular formula C10H9F3N2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 3,5,6-trifluoro-N-pent-4-ynylpyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trifluoro-N-pent-4-ynylpyridin-2-amine
PubChem CID106223086
Molecular FormulaC10H9F3N2
Molecular Weight214.19 g/mol
Exact Mass214.07
IUPAC Name3,5,6-trifluoro-N-pent-4-ynylpyridin-2-amine
SMILESC#CCCCNc1nc(F)c(F)cc1F
InChIInChI=1S/C10H9F3N2/c1-2-3-4-5-14-10-8(12)6-7(11)9(13)15-10/h1,6H,3-5H2,(H,14,15)
InChIKeyAOQGCLGZVNDMAC-UHFFFAOYSA-N
XLogP2.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3,5,6-trifluoro-N-pent-4-ynylpyridin-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

3,5,6-trifluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130504829
5-fluoro-6-(pent-4-ynylamino)pyridine-3-carboxylic acid
CID 167858125
3,5,6-trifluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 106013715
2-chloro-5-fluoro-N-hex-5-ynylpyrimidin-4-amine
CID 106214445
3,5,6-trifluoro-N-(2-phenylethyl)pyridin-2-amine
CID 114072372
2-fluoro-N-pent-4-ynylpyrimidin-4-amine
CID 164645331
4-chloro-3-fluoro-N-pent-4-ynylaniline
CID 115872006
N-tert-butyl-3-[(3,5,6-trifluoro-2-pyridinyl)amino]propanamide
CID 114072681
4-bromo-2-fluoro-N-pent-4-ynylaniline
CID 115871934
3-methyl-N-pent-4-ynylquinoxalin-2-amine
CID 103704423
N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine
CID 103704435
4-fluoro-N-pent-4-ynyl-3-(trifluoromethyl)aniline
CID 113343829

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trifluoro-N-pent-4-ynylpyridin-2-amine?
The IUPAC name of 3,5,6-trifluoro-N-pent-4-ynylpyridin-2-amine (CID 106223086) is 3,5,6-trifluoro-N-pent-4-ynylpyridin-2-amine.
What is the SMILES notation for 3,5,6-trifluoro-N-pent-4-ynylpyridin-2-amine?
The canonical SMILES for 3,5,6-trifluoro-N-pent-4-ynylpyridin-2-amine is C#CCCCNc1nc(F)c(F)cc1F.
What is the InChIKey of 3,5,6-trifluoro-N-pent-4-ynylpyridin-2-amine?
The InChIKey is AOQGCLGZVNDMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2/c1-2-3-4-5-14-10-8(12)6-7(11)9(13)15-10/h1,6H,3-5H2,(H,14,15).
What are the key properties of 3,5,6-trifluoro-N-pent-4-ynylpyridin-2-amine?
3,5,6-trifluoro-N-pent-4-ynylpyridin-2-amine has a molecular weight of 214.19 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trifluoro-N-pent-4-ynylpyridin-2-amine is sourced from PubChem (CID 106223086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).