2,4-dichloro-5-(4,4,4-trifluorobutoxymethyl)pyridine

C10H10Cl2F3NO — CID 116519519

IUPAC2,4-dichloro-5-(4,4,4-trifluorobutoxymethyl)pyridine
SMILESFC(F)(F)CCCOCc1cnc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl2F3NO/c11-8-4-9(12)16-5-7(8)6-17-3-1-2-10(13,14)15/h4-5H,1-3,6H2
InChIKeyIEYDOPVNMCYJQJ-UHFFFAOYSA-N
MW288.10 g/mol
LogP4.25
Rot. Bonds5

About 2,4-dichloro-5-(4,4,4-trifluorobutoxymethyl)pyridine

2,4-dichloro-5-(4,4,4-trifluorobutoxymethyl)pyridine (PubChem CID 116519519) has the molecular formula C10H10Cl2F3NO and a molecular weight of 288.10 g/mol. Its IUPAC name is 2,4-dichloro-5-(4,4,4-trifluorobutoxymethyl)pyridine.

Molecular Properties

Compound Name2,4-dichloro-5-(4,4,4-trifluorobutoxymethyl)pyridine
PubChem CID116519519
Molecular FormulaC10H10Cl2F3NO
Molecular Weight288.10 g/mol
Exact Mass287.01
IUPAC Name2,4-dichloro-5-(4,4,4-trifluorobutoxymethyl)pyridine
SMILESFC(F)(F)CCCOCc1cnc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl2F3NO/c11-8-4-9(12)16-5-7(8)6-17-3-1-2-10(13,14)15/h4-5H,1-3,6H2
InChIKeyIEYDOPVNMCYJQJ-UHFFFAOYSA-N
XLogP4.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2,4-dichloro-5-(3,3-dimethylbutoxymethyl)pyridine
CID 116519503
2-chloro-4-(4,4,4-trifluorobutoxymethyl)pyridine
CID 82788913
4-chloro-3-(4,4,4-trifluorobutoxymethyl)aniline
CID 82788714
4-chloro-2-(4,4,4-trifluorobutoxymethyl)aniline
CID 82789716
2-chloro-5-(4,4,4-trifluorobutoxy)pyridine
CID 115519759
2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 116519388
3-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine
CID 82792853
2,4-dichloro-5-[(4-methylcyclohexyl)oxymethyl]pyridine
CID 116519370
3-chloro-5-methyl-2-(4,4,4-trifluorobutoxy)pyridine
CID 155156958
tert-butyl-[(4,6-dichloro-3-pyridinyl)methoxy]-dimethylsilane
CID 131749614
5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine
CID 116519317
5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine
CID 116519513

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(4,4,4-trifluorobutoxymethyl)pyridine?
The IUPAC name of 2,4-dichloro-5-(4,4,4-trifluorobutoxymethyl)pyridine (CID 116519519) is 2,4-dichloro-5-(4,4,4-trifluorobutoxymethyl)pyridine.
What is the SMILES notation for 2,4-dichloro-5-(4,4,4-trifluorobutoxymethyl)pyridine?
The canonical SMILES for 2,4-dichloro-5-(4,4,4-trifluorobutoxymethyl)pyridine is FC(F)(F)CCCOCc1cnc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(4,4,4-trifluorobutoxymethyl)pyridine?
The InChIKey is IEYDOPVNMCYJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F3NO/c11-8-4-9(12)16-5-7(8)6-17-3-1-2-10(13,14)15/h4-5H,1-3,6H2.
What are the key properties of 2,4-dichloro-5-(4,4,4-trifluorobutoxymethyl)pyridine?
2,4-dichloro-5-(4,4,4-trifluorobutoxymethyl)pyridine has a molecular weight of 288.10 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(4,4,4-trifluorobutoxymethyl)pyridine is sourced from PubChem (CID 116519519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).