2-chloro-5-(10,10,10-trifluorodecyl)pyridine

C15H21ClF3N — CID 152535807

IUPAC2-chloro-5-(10,10,10-trifluorodecyl)pyridine
SMILESFC(F)(F)CCCCCCCCCc1ccc(Cl)nc1
InChIInChI=1S/C15H21ClF3N/c16-14-10-9-13(12-20-14)8-6-4-2-1-3-5-7-11-15(17,18)19/h9-10,12H,1-8,11H2
InChIKeyYKMPWRSLWRHZCC-UHFFFAOYSA-N
MW307.79 g/mol
LogP5.96
Rot. Bonds9

About 2-chloro-5-(10,10,10-trifluorodecyl)pyridine

2-chloro-5-(10,10,10-trifluorodecyl)pyridine (PubChem CID 152535807) has the molecular formula C15H21ClF3N and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-chloro-5-(10,10,10-trifluorodecyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(10,10,10-trifluorodecyl)pyridine
PubChem CID152535807
Molecular FormulaC15H21ClF3N
Molecular Weight307.79 g/mol
Exact Mass307.13
IUPAC Name2-chloro-5-(10,10,10-trifluorodecyl)pyridine
SMILESFC(F)(F)CCCCCCCCCc1ccc(Cl)nc1
InChIInChI=1S/C15H21ClF3N/c16-14-10-9-13(12-20-14)8-6-4-2-1-3-5-7-11-15(17,18)19/h9-10,12H,1-8,11H2
InChIKeyYKMPWRSLWRHZCC-UHFFFAOYSA-N
XLogP5.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.79
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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triazanium;7-(6-chloro-3-pyridinyl)heptylazanium;methanesulfonate
CID 139621052
[4-(6-chloro-3-pyridinyl)-2-methylbutan-2-yl]-hydroxy-dimethylsilane
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2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]pyridine
CID 29048275
N-[2-(6-chloro-3-pyridinyl)ethyl]methanimine
CID 174856030
5-bromo-2-(10,10,10-trifluorodecyl)pyridine
CID 151052015
2-chloro-5-(iodomethyl)pyridine
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CID 172793605
CID 172793605
(1R)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
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1-isocyanato-4-(10,10,10-trifluorodecyl)benzene
CID 150888891

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(10,10,10-trifluorodecyl)pyridine?
The IUPAC name of 2-chloro-5-(10,10,10-trifluorodecyl)pyridine (CID 152535807) is 2-chloro-5-(10,10,10-trifluorodecyl)pyridine.
What is the SMILES notation for 2-chloro-5-(10,10,10-trifluorodecyl)pyridine?
The canonical SMILES for 2-chloro-5-(10,10,10-trifluorodecyl)pyridine is FC(F)(F)CCCCCCCCCc1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-(10,10,10-trifluorodecyl)pyridine?
The InChIKey is YKMPWRSLWRHZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClF3N/c16-14-10-9-13(12-20-14)8-6-4-2-1-3-5-7-11-15(17,18)19/h9-10,12H,1-8,11H2.
What are the key properties of 2-chloro-5-(10,10,10-trifluorodecyl)pyridine?
2-chloro-5-(10,10,10-trifluorodecyl)pyridine has a molecular weight of 307.79 g/mol, XLogP of 5.96, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(10,10,10-trifluorodecyl)pyridine is sourced from PubChem (CID 152535807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).