4-(chloromethyl)-2-(2,4-difluorophenoxy)pyridine

C12H8ClF2NO — CID 61267682

IUPAC4-(chloromethyl)-2-(2,4-difluorophenoxy)pyridine
SMILESFc1ccc(Oc2cc(CCl)ccn2)c(F)c1
InChIInChI=1S/C12H8ClF2NO/c13-7-8-3-4-16-12(5-8)17-11-2-1-9(14)6-10(11)15/h1-6H,7H2
InChIKeyIQDHHHXYQYGJSP-UHFFFAOYSA-N
MW255.65 g/mol
LogP3.89
Rot. Bonds3

About 4-(chloromethyl)-2-(2,4-difluorophenoxy)pyridine

4-(chloromethyl)-2-(2,4-difluorophenoxy)pyridine (PubChem CID 61267682) has the molecular formula C12H8ClF2NO and a molecular weight of 255.65 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2,4-difluorophenoxy)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2,4-difluorophenoxy)pyridine
PubChem CID61267682
Molecular FormulaC12H8ClF2NO
Molecular Weight255.65 g/mol
Exact Mass255.03
IUPAC Name4-(chloromethyl)-2-(2,4-difluorophenoxy)pyridine
SMILESFc1ccc(Oc2cc(CCl)ccn2)c(F)c1
InChIInChI=1S/C12H8ClF2NO/c13-7-8-3-4-16-12(5-8)17-11-2-1-9(14)6-10(11)15/h1-6H,7H2
InChIKeyIQDHHHXYQYGJSP-UHFFFAOYSA-N
XLogP3.89
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.65
LogP ≤ 53.89
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

2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine
CID 107100912
[2-(2-bromo-4-fluorophenoxy)-4-pyridinyl]methanol
CID 61255659
4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine
CID 61268969
2-(4-bromo-2,5-dichlorophenoxy)-4-(chloromethyl)pyridine
CID 107660062
N-[[2-(2,5-difluorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 63272898
2-chloro-4-[(2,4-difluorophenoxy)methyl]pyridine
CID 62045301
[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
CID 116689765
4-(chloromethyl)-2-methoxypyridine;hydrochloride
CID 22625003
4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61269154
[4-(2,4-difluorophenoxy)pyrimidin-2-yl]hydrazine
CID 80917292
5-bromo-2-(2,4-difluorophenoxy)-4-methylpyridine
CID 114870597
6-(2,4-difluorophenoxy)-4-methylpyridin-3-amine
CID 79175877

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2,4-difluorophenoxy)pyridine?
The IUPAC name of 4-(chloromethyl)-2-(2,4-difluorophenoxy)pyridine (CID 61267682) is 4-(chloromethyl)-2-(2,4-difluorophenoxy)pyridine.
What is the SMILES notation for 4-(chloromethyl)-2-(2,4-difluorophenoxy)pyridine?
The canonical SMILES for 4-(chloromethyl)-2-(2,4-difluorophenoxy)pyridine is Fc1ccc(Oc2cc(CCl)ccn2)c(F)c1.
What is the InChIKey of 4-(chloromethyl)-2-(2,4-difluorophenoxy)pyridine?
The InChIKey is IQDHHHXYQYGJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO/c13-7-8-3-4-16-12(5-8)17-11-2-1-9(14)6-10(11)15/h1-6H,7H2.
What are the key properties of 4-(chloromethyl)-2-(2,4-difluorophenoxy)pyridine?
4-(chloromethyl)-2-(2,4-difluorophenoxy)pyridine has a molecular weight of 255.65 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2,4-difluorophenoxy)pyridine is sourced from PubChem (CID 61267682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).