5-(4-azidobut-1-enyl)-3-(trifluoromethyl)pyridin-2-amine

C10H10F3N5 — CID 170485854

IUPAC5-(4-azidobut-1-enyl)-3-(trifluoromethyl)pyridin-2-amine
SMILES[N-]=[N+]=NCCC=Cc1cnc(N)c(C(F)(F)F)c1
InChIInChI=1S/C10H10F3N5/c11-10(12,13)8-5-7(6-16-9(8)14)3-1-2-4-17-18-15/h1,3,5-6H,2,4H2,(H2,14,16)
InChIKeyWUEIMBNYHICOKR-UHFFFAOYSA-N
MW257.22 g/mol
LogP3.40
Rot. Bonds4

About 5-(4-azidobut-1-enyl)-3-(trifluoromethyl)pyridin-2-amine

5-(4-azidobut-1-enyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 170485854) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is 5-(4-azidobut-1-enyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(4-azidobut-1-enyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID170485854
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC Name5-(4-azidobut-1-enyl)-3-(trifluoromethyl)pyridin-2-amine
SMILES[N-]=[N+]=NCCC=Cc1cnc(N)c(C(F)(F)F)c1
InChIInChI=1S/C10H10F3N5/c11-10(12,13)8-5-7(6-16-9(8)14)3-1-2-4-17-18-15/h1,3,5-6H,2,4H2,(H2,14,16)
InChIKeyWUEIMBNYHICOKR-UHFFFAOYSA-N
XLogP3.40
TPSA87.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-(4-azidobut-1-enyl)-2-(trifluoromethyl)pyrimidine
CID 170485602
3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol
CID 169453823
3-(4-azidobut-1-enyl)-5-(trifluoromethyl)aniline
CID 170485890
5-(4-azidobut-1-enyl)-2-chloro-3-fluoropyridine
CID 170485000
3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-enal
CID 169459565
5-(4-azidobut-1-enyl)-2-methoxy-3-methylpyridine
CID 170485359
5-(4-azidobut-1-enyl)-1H-pyrazolo[5,4-b]pyridine
CID 170485417
4-(4-azidobut-1-enyl)-2-fluoroaniline
CID 170484952
6-(4-azidobut-1-enyl)quinazolin-4-amine
CID 170486033
1-(4-azidobut-1-enyl)-4-chloro-2-(trifluoromethyl)benzene
CID 170485757
5-(4-azidobut-1-enyl)pyridine-3-carboxamide
CID 170485248
3-(4-azidobut-1-enyl)-5-(trifluoromethyl)benzonitrile
CID 170486143

Frequently Asked Questions

What is the IUPAC name of 5-(4-azidobut-1-enyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-(4-azidobut-1-enyl)-3-(trifluoromethyl)pyridin-2-amine (CID 170485854) is 5-(4-azidobut-1-enyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-(4-azidobut-1-enyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-(4-azidobut-1-enyl)-3-(trifluoromethyl)pyridin-2-amine is [N-]=[N+]=NCCC=Cc1cnc(N)c(C(F)(F)F)c1.
What is the InChIKey of 5-(4-azidobut-1-enyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WUEIMBNYHICOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c11-10(12,13)8-5-7(6-16-9(8)14)3-1-2-4-17-18-15/h1,3,5-6H,2,4H2,(H2,14,16).
What are the key properties of 5-(4-azidobut-1-enyl)-3-(trifluoromethyl)pyridin-2-amine?
5-(4-azidobut-1-enyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 257.22 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-azidobut-1-enyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 170485854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).