3-(chloromethyl)-5-(3-fluoro-4-methylphenoxy)pyridine

C13H11ClFNO — CID 107169727

IUPAC3-(chloromethyl)-5-(3-fluoro-4-methylphenoxy)pyridine
SMILESCc1ccc(Oc2cncc(CCl)c2)cc1F
InChIInChI=1S/C13H11ClFNO/c1-9-2-3-11(5-13(9)15)17-12-4-10(6-14)7-16-8-12/h2-5,7-8H,6H2,1H3
InChIKeyNDHQLYSJIPZBRY-UHFFFAOYSA-N
MW251.69 g/mol
LogP4.06
Rot. Bonds3

About 3-(chloromethyl)-5-(3-fluoro-4-methylphenoxy)pyridine

3-(chloromethyl)-5-(3-fluoro-4-methylphenoxy)pyridine (PubChem CID 107169727) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 3-(chloromethyl)-5-(3-fluoro-4-methylphenoxy)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-5-(3-fluoro-4-methylphenoxy)pyridine
PubChem CID107169727
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name3-(chloromethyl)-5-(3-fluoro-4-methylphenoxy)pyridine
SMILESCc1ccc(Oc2cncc(CCl)c2)cc1F
InChIInChI=1S/C13H11ClFNO/c1-9-2-3-11(5-13(9)15)17-12-4-10(6-14)7-16-8-12/h2-5,7-8H,6H2,1H3
InChIKeyNDHQLYSJIPZBRY-UHFFFAOYSA-N
XLogP4.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 54.06
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)-5-(4-chlorophenoxy)pyridine
CID 112693982
5-(3-fluoro-4-methylphenoxy)pyridin-3-amine
CID 107171750
2-[5-(3,4-dimethylphenoxy)-3-pyridinyl]ethanamine
CID 113469863
1-[5-(4-chloro-3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 113469619
3-(chloromethyl)-5-(3-propan-2-ylphenoxy)pyridine
CID 113469499
3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine
CID 107171333
[5-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methanamine
CID 113469610
4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine
CID 107169176
4-[4-(chloromethyl)-2-nitrophenoxy]-2-fluoro-1-methylbenzene
CID 107169704
[5-chloro-6-(3-fluoro-4-methylphenoxy)-3-pyridinyl]methanol
CID 107170106
4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine
CID 107169142
1-chloro-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene
CID 106530583

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-5-(3-fluoro-4-methylphenoxy)pyridine?
The IUPAC name of 3-(chloromethyl)-5-(3-fluoro-4-methylphenoxy)pyridine (CID 107169727) is 3-(chloromethyl)-5-(3-fluoro-4-methylphenoxy)pyridine.
What is the SMILES notation for 3-(chloromethyl)-5-(3-fluoro-4-methylphenoxy)pyridine?
The canonical SMILES for 3-(chloromethyl)-5-(3-fluoro-4-methylphenoxy)pyridine is Cc1ccc(Oc2cncc(CCl)c2)cc1F.
What is the InChIKey of 3-(chloromethyl)-5-(3-fluoro-4-methylphenoxy)pyridine?
The InChIKey is NDHQLYSJIPZBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c1-9-2-3-11(5-13(9)15)17-12-4-10(6-14)7-16-8-12/h2-5,7-8H,6H2,1H3.
What are the key properties of 3-(chloromethyl)-5-(3-fluoro-4-methylphenoxy)pyridine?
3-(chloromethyl)-5-(3-fluoro-4-methylphenoxy)pyridine has a molecular weight of 251.69 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5-(3-fluoro-4-methylphenoxy)pyridine is sourced from PubChem (CID 107169727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).