6-but-3-ynoxy-4-(trifluoromethyl)pyridin-2-amine

C10H9F3N2O — CID 106795472

IUPAC6-but-3-ynoxy-4-(trifluoromethyl)pyridin-2-amine
SMILESC#CCCOc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C10H9F3N2O/c1-2-3-4-16-9-6-7(10(11,12)13)5-8(14)15-9/h1,5-6H,3-4H2,(H2,14,15)
InChIKeyAVTUWCVECACROG-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.08
Rot. Bonds3

About 6-but-3-ynoxy-4-(trifluoromethyl)pyridin-2-amine

6-but-3-ynoxy-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 106795472) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 6-but-3-ynoxy-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-but-3-ynoxy-4-(trifluoromethyl)pyridin-2-amine
PubChem CID106795472
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name6-but-3-ynoxy-4-(trifluoromethyl)pyridin-2-amine
SMILESC#CCCOc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C10H9F3N2O/c1-2-3-4-16-9-6-7(10(11,12)13)5-8(14)15-9/h1,5-6H,3-4H2,(H2,14,15)
InChIKeyAVTUWCVECACROG-UHFFFAOYSA-N
XLogP2.08
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol
CID 102719752
6-hexoxy-4-(trifluoromethyl)pyridin-2-amine
CID 102719653
4-(trifluoromethyl)-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-2-amine
CID 102720032
2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80859442
6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719899
6-(5-fluoro-2-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102989067
6-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774343
[6-(2-cyclopropylethoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 106207896
[6-(3-methylbutoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721220
6-(5-bromo-2-fluorophenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102720122
6-(2,6-dimethyloxan-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine
CID 102720096
2-chloro-6-(3-methylbutoxy)-4-(trifluoromethyl)pyridine
CID 102715140

Frequently Asked Questions

What is the IUPAC name of 6-but-3-ynoxy-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-but-3-ynoxy-4-(trifluoromethyl)pyridin-2-amine (CID 106795472) is 6-but-3-ynoxy-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-but-3-ynoxy-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-but-3-ynoxy-4-(trifluoromethyl)pyridin-2-amine is C#CCCOc1cc(C(F)(F)F)cc(N)n1.
What is the InChIKey of 6-but-3-ynoxy-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is AVTUWCVECACROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-2-3-4-16-9-6-7(10(11,12)13)5-8(14)15-9/h1,5-6H,3-4H2,(H2,14,15).
What are the key properties of 6-but-3-ynoxy-4-(trifluoromethyl)pyridin-2-amine?
6-but-3-ynoxy-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 230.19 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-ynoxy-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106795472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).