4-chloro-2-(2-fluoro-2-methylbut-3-enoxy)pyridine

C10H11ClFNO — CID 176959684

IUPAC4-chloro-2-(2-fluoro-2-methylbut-3-enoxy)pyridine
SMILESC=CC(C)(F)COc1cc(Cl)ccn1
InChIInChI=1S/C10H11ClFNO/c1-3-10(2,12)7-14-9-6-8(11)4-5-13-9/h3-6H,1,7H2,2H3
InChIKeyCVBKYROEHXUFDE-UHFFFAOYSA-N
MW215.66 g/mol
LogP3.03
Rot. Bonds4

About 4-chloro-2-(2-fluoro-2-methylbut-3-enoxy)pyridine

4-chloro-2-(2-fluoro-2-methylbut-3-enoxy)pyridine (PubChem CID 176959684) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 4-chloro-2-(2-fluoro-2-methylbut-3-enoxy)pyridine.

Molecular Properties

Compound Name4-chloro-2-(2-fluoro-2-methylbut-3-enoxy)pyridine
PubChem CID176959684
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name4-chloro-2-(2-fluoro-2-methylbut-3-enoxy)pyridine
SMILESC=CC(C)(F)COc1cc(Cl)ccn1
InChIInChI=1S/C10H11ClFNO/c1-3-10(2,12)7-14-9-6-8(11)4-5-13-9/h3-6H,1,7H2,2H3
InChIKeyCVBKYROEHXUFDE-UHFFFAOYSA-N
XLogP3.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(2-methoxyethoxy)pyridine
CID 71303293
4-chloro-2-(cyclobutylmethoxy)pyridine
CID 71303294
2-[(4-chloro-2-pyridinyl)oxy]acetate
CID 6946402
2-[2-[(4-chloro-2-pyridinyl)oxy]ethylamino]ethanol
CID 167077055
2-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine
CID 134332018
3-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]pentan-3-amine
CID 66328310
2-(2,2-dimethylpropoxy)pyridine-4-carboxylic acid
CID 91151516
[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride
CID 154617782
tert-butyl (2S,4R)-2-[(4-chloro-2-pyridinyl)oxymethyl]-4-methylpiperidine-1-carboxylate
CID 173382245
1-[(4-chlorophenyl)methyl]-2-methyl-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111131707
4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine
CID 82954654
2-(2,2,2-trifluoroethoxy)pyridine-4-carbothioamide
CID 24697236

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-fluoro-2-methylbut-3-enoxy)pyridine?
The IUPAC name of 4-chloro-2-(2-fluoro-2-methylbut-3-enoxy)pyridine (CID 176959684) is 4-chloro-2-(2-fluoro-2-methylbut-3-enoxy)pyridine.
What is the SMILES notation for 4-chloro-2-(2-fluoro-2-methylbut-3-enoxy)pyridine?
The canonical SMILES for 4-chloro-2-(2-fluoro-2-methylbut-3-enoxy)pyridine is C=CC(C)(F)COc1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-2-(2-fluoro-2-methylbut-3-enoxy)pyridine?
The InChIKey is CVBKYROEHXUFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-3-10(2,12)7-14-9-6-8(11)4-5-13-9/h3-6H,1,7H2,2H3.
What are the key properties of 4-chloro-2-(2-fluoro-2-methylbut-3-enoxy)pyridine?
4-chloro-2-(2-fluoro-2-methylbut-3-enoxy)pyridine has a molecular weight of 215.66 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-fluoro-2-methylbut-3-enoxy)pyridine is sourced from PubChem (CID 176959684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).