3-chloro-1,1,1-trifluoro-4-methylimino-4-pyridin-2-ylbut-2-en-2-amine

C10H9ClF3N3 — CID 153146421

IUPAC3-chloro-1,1,1-trifluoro-4-methylimino-4-pyridin-2-ylbut-2-en-2-amine
SMILESC/N=C(/C(Cl)=C(N)C(F)(F)F)c1ccccn1
InChIInChI=1S/C10H9ClF3N3/c1-16-8(6-4-2-3-5-17-6)7(11)9(15)10(12,13)14/h2-5H,15H2,1H3/b9-7?,16-8+
InChIKeyWSVVPFGBFLRJMP-XJNHQHODSA-N
MW263.65 g/mol
LogP2.47
Rot. Bonds2

About 3-chloro-1,1,1-trifluoro-4-methylimino-4-pyridin-2-ylbut-2-en-2-amine

3-chloro-1,1,1-trifluoro-4-methylimino-4-pyridin-2-ylbut-2-en-2-amine (PubChem CID 153146421) has the molecular formula C10H9ClF3N3 and a molecular weight of 263.65 g/mol. Its IUPAC name is 3-chloro-1,1,1-trifluoro-4-methylimino-4-pyridin-2-ylbut-2-en-2-amine.

Molecular Properties

Compound Name3-chloro-1,1,1-trifluoro-4-methylimino-4-pyridin-2-ylbut-2-en-2-amine
PubChem CID153146421
Molecular FormulaC10H9ClF3N3
Molecular Weight263.65 g/mol
Exact Mass263.04
IUPAC Name3-chloro-1,1,1-trifluoro-4-methylimino-4-pyridin-2-ylbut-2-en-2-amine
SMILESC/N=C(/C(Cl)=C(N)C(F)(F)F)c1ccccn1
InChIInChI=1S/C10H9ClF3N3/c1-16-8(6-4-2-3-5-17-6)7(11)9(15)10(12,13)14/h2-5H,15H2,1H3/b9-7?,16-8+
InChIKeyWSVVPFGBFLRJMP-XJNHQHODSA-N
XLogP2.47
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N'-methylpyridine-2-carboximidamide
CID 143309787
ethane;1-N,2-N,3-trimethyl-1-pyridin-2-ylbutane-1,2-diimine
CID 156721762
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
ethane;pyridine-2-carbonyl chloride
CID 158598971
N'-aminopyridine-2-carboximidamide
CID 5464234
N-methylpyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 172678259
(E)-1-pyridin-2-ylprop-1-en-1-amine
CID 55290780
(2Z)-2-hydroxyimino-2-pyridin-2-ylacetamide
CID 140560701
(2E)-2-ethylidene-N-methyl-1-pyridin-2-ylpentan-1-imine;bis(prop-1-ene)
CID 144630538
pyridine-2-carboximidamide;2,2,2-trifluoroacetic acid
CID 161312588
N'-(2-hydroxy-2-methylbutyl)pyridine-2-carboximidamide
CID 100962340
N'-[amino(methyl)amino]pyridine-2-carboximidamide
CID 172923686

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,1,1-trifluoro-4-methylimino-4-pyridin-2-ylbut-2-en-2-amine?
The IUPAC name of 3-chloro-1,1,1-trifluoro-4-methylimino-4-pyridin-2-ylbut-2-en-2-amine (CID 153146421) is 3-chloro-1,1,1-trifluoro-4-methylimino-4-pyridin-2-ylbut-2-en-2-amine.
What is the SMILES notation for 3-chloro-1,1,1-trifluoro-4-methylimino-4-pyridin-2-ylbut-2-en-2-amine?
The canonical SMILES for 3-chloro-1,1,1-trifluoro-4-methylimino-4-pyridin-2-ylbut-2-en-2-amine is C/N=C(/C(Cl)=C(N)C(F)(F)F)c1ccccn1.
What is the InChIKey of 3-chloro-1,1,1-trifluoro-4-methylimino-4-pyridin-2-ylbut-2-en-2-amine?
The InChIKey is WSVVPFGBFLRJMP-XJNHQHODSA-N. The full InChI is InChI=1S/C10H9ClF3N3/c1-16-8(6-4-2-3-5-17-6)7(11)9(15)10(12,13)14/h2-5H,15H2,1H3/b9-7?,16-8+.
What are the key properties of 3-chloro-1,1,1-trifluoro-4-methylimino-4-pyridin-2-ylbut-2-en-2-amine?
3-chloro-1,1,1-trifluoro-4-methylimino-4-pyridin-2-ylbut-2-en-2-amine has a molecular weight of 263.65 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,1,1-trifluoro-4-methylimino-4-pyridin-2-ylbut-2-en-2-amine is sourced from PubChem (CID 153146421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).