4-(chloromethyl)-3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine

C16H17ClFNO — CID 105383793

IUPAC4-(chloromethyl)-3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine
SMILESCc1ccc(C(C)C)c(Oc2nccc(CCl)c2F)c1
InChIInChI=1S/C16H17ClFNO/c1-10(2)13-5-4-11(3)8-14(13)20-16-15(18)12(9-17)6-7-19-16/h4-8,10H,9H2,1-3H3
InChIKeyVGYDVVNZOXOKKE-UHFFFAOYSA-N
MW293.77 g/mol
LogP5.18
Rot. Bonds4

About 4-(chloromethyl)-3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine

4-(chloromethyl)-3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine (PubChem CID 105383793) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 4-(chloromethyl)-3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine
PubChem CID105383793
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name4-(chloromethyl)-3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine
SMILESCc1ccc(C(C)C)c(Oc2nccc(CCl)c2F)c1
InChIInChI=1S/C16H17ClFNO/c1-10(2)13-5-4-11(3)8-14(13)20-16-15(18)12(9-17)6-7-19-16/h4-8,10H,9H2,1-3H3
InChIKeyVGYDVVNZOXOKKE-UHFFFAOYSA-N
XLogP5.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.77
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)-4-pyridinyl]methanol
CID 105383255
3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 105379913
2-(chloromethyl)-4-(5-methyl-2-propan-2-ylphenoxy)pyridine
CID 61269909
5-(chloromethyl)-1,3-difluoro-2-(5-methyl-2-propan-2-ylphenoxy)benzene
CID 63567841
[2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391433
4-(chloromethyl)-3-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine
CID 105383893
[3-fluoro-2-(2-propan-2-ylphenoxy)-4-pyridinyl]methanol
CID 105383273
4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine
CID 105383887
2-(2-bromo-4-chloro-5-fluorophenoxy)-4-(chloromethyl)-3-fluoropyridine
CID 114042760
[2-(2-bromo-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391301
4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine
CID 62481702
3-(chloromethyl)-2-(2-propan-2-ylphenoxy)pyridine
CID 61268632

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine?
The IUPAC name of 4-(chloromethyl)-3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine (CID 105383793) is 4-(chloromethyl)-3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine.
What is the SMILES notation for 4-(chloromethyl)-3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine?
The canonical SMILES for 4-(chloromethyl)-3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine is Cc1ccc(C(C)C)c(Oc2nccc(CCl)c2F)c1.
What is the InChIKey of 4-(chloromethyl)-3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine?
The InChIKey is VGYDVVNZOXOKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-10(2)13-5-4-11(3)8-14(13)20-16-15(18)12(9-17)6-7-19-16/h4-8,10H,9H2,1-3H3.
What are the key properties of 4-(chloromethyl)-3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine?
4-(chloromethyl)-3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine has a molecular weight of 293.77 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine is sourced from PubChem (CID 105383793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).