(3-chloro-1,1,1-trifluoro-4-imino-4-pyridin-3-ylbut-2-en-2-yl)-methylazanium

C10H10ClF3N3+ — CID 163612261

IUPAC(3-chloro-1,1,1-trifluoro-4-imino-4-pyridin-3-ylbut-2-en-2-yl)-methylazanium
SMILES[H]/N=C(/C(Cl)=C([NH2+]C)C(F)(F)F)c1cccnc1
InChIInChI=1S/C10H9ClF3N3/c1-16-9(10(12,13)14)7(11)8(15)6-3-2-4-17-5-6/h2-5,15-16H,1H3/p+1/b9-7?,15-8+
InChIKeyHGYNWRINCYGQFH-KAIGDTDQSA-O
MW264.66 g/mol
LogP1.66
Rot. Bonds3

About (3-chloro-1,1,1-trifluoro-4-imino-4-pyridin-3-ylbut-2-en-2-yl)-methylazanium

(3-chloro-1,1,1-trifluoro-4-imino-4-pyridin-3-ylbut-2-en-2-yl)-methylazanium (PubChem CID 163612261) has the molecular formula C10H10ClF3N3+ and a molecular weight of 264.66 g/mol. Its IUPAC name is (3-chloro-1,1,1-trifluoro-4-imino-4-pyridin-3-ylbut-2-en-2-yl)-methylazanium.

Molecular Properties

Compound Name(3-chloro-1,1,1-trifluoro-4-imino-4-pyridin-3-ylbut-2-en-2-yl)-methylazanium
PubChem CID163612261
Molecular FormulaC10H10ClF3N3+
Molecular Weight264.66 g/mol
Exact Mass264.05
IUPAC Name(3-chloro-1,1,1-trifluoro-4-imino-4-pyridin-3-ylbut-2-en-2-yl)-methylazanium
SMILES[H]/N=C(/C(Cl)=C([NH2+]C)C(F)(F)F)c1cccnc1
InChIInChI=1S/C10H9ClF3N3/c1-16-9(10(12,13)14)7(11)8(15)6-3-2-4-17-5-6/h2-5,15-16H,1H3/p+1/b9-7?,15-8+
InChIKeyHGYNWRINCYGQFH-KAIGDTDQSA-O
XLogP1.66
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.66
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-bromo-1-pyridin-3-ylbut-2-en-1-imine
CID 118504147
(Z)-2,3-dimethyl-1-pyridin-3-ylpent-2-ene-1,4-diimine;ethane
CID 176694483
butyl 2-imino-2-pyridin-3-ylacetate
CID 139939287
1,1,1-trifluoro-4-hydroxy-4-pyridin-3-ylbut-3-en-2-one
CID 781038
2-bromo-3-imino-1-pyridin-3-ylprop-1-en-1-amine;(E)-2-bromo-1-pyridin-3-ylbut-2-en-1-imine
CID 158138690
1-pyridin-3-ylpentan-1-imine
CID 19790330
bis(N-methylpyridine-3-carboximidoyl chloride);dihydroiodide
CID 173104208
3,3,3-trifluoro-2,2-dimethyl-1-pyridin-3-ylpropan-1-one
CID 174395736
propyl pyridine-3-carboximidate
CID 11819373
(3,4-dimethylphenyl)-pyridin-3-ylmethanimine
CID 22299343
2-(pyridine-3-carboximidoyl)phenol
CID 168995056
2-(pyridine-3-carboximidoyl)propanedinitrile
CID 7062251

Frequently Asked Questions

What is the IUPAC name of (3-chloro-1,1,1-trifluoro-4-imino-4-pyridin-3-ylbut-2-en-2-yl)-methylazanium?
The IUPAC name of (3-chloro-1,1,1-trifluoro-4-imino-4-pyridin-3-ylbut-2-en-2-yl)-methylazanium (CID 163612261) is (3-chloro-1,1,1-trifluoro-4-imino-4-pyridin-3-ylbut-2-en-2-yl)-methylazanium.
What is the SMILES notation for (3-chloro-1,1,1-trifluoro-4-imino-4-pyridin-3-ylbut-2-en-2-yl)-methylazanium?
The canonical SMILES for (3-chloro-1,1,1-trifluoro-4-imino-4-pyridin-3-ylbut-2-en-2-yl)-methylazanium is [H]/N=C(/C(Cl)=C([NH2+]C)C(F)(F)F)c1cccnc1.
What is the InChIKey of (3-chloro-1,1,1-trifluoro-4-imino-4-pyridin-3-ylbut-2-en-2-yl)-methylazanium?
The InChIKey is HGYNWRINCYGQFH-KAIGDTDQSA-O. The full InChI is InChI=1S/C10H9ClF3N3/c1-16-9(10(12,13)14)7(11)8(15)6-3-2-4-17-5-6/h2-5,15-16H,1H3/p+1/b9-7?,15-8+.
What are the key properties of (3-chloro-1,1,1-trifluoro-4-imino-4-pyridin-3-ylbut-2-en-2-yl)-methylazanium?
(3-chloro-1,1,1-trifluoro-4-imino-4-pyridin-3-ylbut-2-en-2-yl)-methylazanium has a molecular weight of 264.66 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1,1,1-trifluoro-4-imino-4-pyridin-3-ylbut-2-en-2-yl)-methylazanium is sourced from PubChem (CID 163612261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).