2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine

C12H8Cl2FNO — CID 114267909

IUPAC2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine
SMILESFc1cc(Cl)ccc1Oc1ncccc1CCl
InChIInChI=1S/C12H8Cl2FNO/c13-7-8-2-1-5-16-12(8)17-11-4-3-9(14)6-10(11)15/h1-6H,7H2
InChIKeyQRAKTTJEXYWRTM-UHFFFAOYSA-N
MW272.11 g/mol
LogP4.41
Rot. Bonds3

About 2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine

2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine (PubChem CID 114267909) has the molecular formula C12H8Cl2FNO and a molecular weight of 272.11 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine
PubChem CID114267909
Molecular FormulaC12H8Cl2FNO
Molecular Weight272.11 g/mol
Exact Mass271.00
IUPAC Name2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine
SMILESFc1cc(Cl)ccc1Oc1ncccc1CCl
InChIInChI=1S/C12H8Cl2FNO/c13-7-8-2-1-5-16-12(8)17-11-4-3-9(14)6-10(11)15/h1-6H,7H2
InChIKeyQRAKTTJEXYWRTM-UHFFFAOYSA-N
XLogP4.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.11
LogP ≤ 54.41
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-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine
CID 61268068
3-(chloromethyl)-2-(3-chlorophenoxy)pyridine
CID 61267697
[2-(2,4-difluorophenoxy)-3-pyridinyl]methanol
CID 61256286
3-[4-chloro-2-(chloromethyl)phenoxy]-2-methylpyridine
CID 114847144
[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methanamine
CID 43528666
N-[[2-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62323935
4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 142784638
3-(chloromethyl)-2-(2-propan-2-ylphenoxy)pyridine
CID 61268632
3-(chloromethyl)-2-(4-methylsulfanylphenoxy)pyridine
CID 63647867
2-(2,4-difluorophenoxy)-3-heptylpyridine
CID 59545722
N-[[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62323963
3-(chloromethyl)-2-pyridin-3-yloxypyridine
CID 61268783

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine?
The IUPAC name of 2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine (CID 114267909) is 2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine?
The canonical SMILES for 2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine is Fc1cc(Cl)ccc1Oc1ncccc1CCl.
What is the InChIKey of 2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine?
The InChIKey is QRAKTTJEXYWRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FNO/c13-7-8-2-1-5-16-12(8)17-11-4-3-9(14)6-10(11)15/h1-6H,7H2.
What are the key properties of 2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine?
2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine has a molecular weight of 272.11 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine is sourced from PubChem (CID 114267909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).