2-but-3-ynyl-3-chloro-5-(trifluoromethyl)pyridine

C10H7ClF3N — CID 166452013

IUPAC2-but-3-ynyl-3-chloro-5-(trifluoromethyl)pyridine
SMILESC#CCCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H7ClF3N/c1-2-3-4-9-8(11)5-7(6-15-9)10(12,13)14/h1,5-6H,3-4H2
InChIKeyJVXVSCIAQGRGKL-UHFFFAOYSA-N
MW233.62 g/mol
LogP3.32
Rot. Bonds2

About 2-but-3-ynyl-3-chloro-5-(trifluoromethyl)pyridine

2-but-3-ynyl-3-chloro-5-(trifluoromethyl)pyridine (PubChem CID 166452013) has the molecular formula C10H7ClF3N and a molecular weight of 233.62 g/mol. Its IUPAC name is 2-but-3-ynyl-3-chloro-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-but-3-ynyl-3-chloro-5-(trifluoromethyl)pyridine
PubChem CID166452013
Molecular FormulaC10H7ClF3N
Molecular Weight233.62 g/mol
Exact Mass233.02
IUPAC Name2-but-3-ynyl-3-chloro-5-(trifluoromethyl)pyridine
SMILESC#CCCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H7ClF3N/c1-2-3-4-9-8(11)5-7(6-15-9)10(12,13)14/h1,5-6H,3-4H2
InChIKeyJVXVSCIAQGRGKL-UHFFFAOYSA-N
XLogP3.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.62
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride
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2-butyl-3-chloro-5-(trifluoromethyl)pyridine
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2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(cyclopropylmethyl)ethanamine
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2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanethioamide
CID 91664064
2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine
CID 1475890
3-chloro-2-(pyridin-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyridine
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2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]aniline
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2-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propyl]isoindole-1,3-dione
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2-bromo-3-chloro-5-(trifluoromethyl)pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-but-3-ynyl-3-chloro-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-but-3-ynyl-3-chloro-5-(trifluoromethyl)pyridine (CID 166452013) is 2-but-3-ynyl-3-chloro-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-but-3-ynyl-3-chloro-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-but-3-ynyl-3-chloro-5-(trifluoromethyl)pyridine is C#CCCc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-but-3-ynyl-3-chloro-5-(trifluoromethyl)pyridine?
The InChIKey is JVXVSCIAQGRGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N/c1-2-3-4-9-8(11)5-7(6-15-9)10(12,13)14/h1,5-6H,3-4H2.
What are the key properties of 2-but-3-ynyl-3-chloro-5-(trifluoromethyl)pyridine?
2-but-3-ynyl-3-chloro-5-(trifluoromethyl)pyridine has a molecular weight of 233.62 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-ynyl-3-chloro-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 166452013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).