4-(chloromethyl)-3-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine

C13H10ClF2NO — CID 105383893

IUPAC4-(chloromethyl)-3-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine
SMILESCc1cc(Oc2nccc(CCl)c2F)ccc1F
InChIInChI=1S/C13H10ClF2NO/c1-8-6-10(2-3-11(8)15)18-13-12(16)9(7-14)4-5-17-13/h2-6H,7H2,1H3
InChIKeyRZLMWJNGSOEXDR-UHFFFAOYSA-N
MW269.68 g/mol
LogP4.20
Rot. Bonds3

About 4-(chloromethyl)-3-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine

4-(chloromethyl)-3-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine (PubChem CID 105383893) has the molecular formula C13H10ClF2NO and a molecular weight of 269.68 g/mol. Its IUPAC name is 4-(chloromethyl)-3-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-3-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine
PubChem CID105383893
Molecular FormulaC13H10ClF2NO
Molecular Weight269.68 g/mol
Exact Mass269.04
IUPAC Name4-(chloromethyl)-3-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine
SMILESCc1cc(Oc2nccc(CCl)c2F)ccc1F
InChIInChI=1S/C13H10ClF2NO/c1-8-6-10(2-3-11(8)15)18-13-12(16)9(7-14)4-5-17-13/h2-6H,7H2,1H3
InChIKeyRZLMWJNGSOEXDR-UHFFFAOYSA-N
XLogP4.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 54.20
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

4-(chloromethyl)-3-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 102747282
4-(chloromethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)-3-fluoropyridine
CID 105383825
4-(chloromethyl)-3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine
CID 105383838
N-[[2-(3,4-dimethylphenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391166
2-(2-bromo-4-chloro-5-fluorophenoxy)-4-(chloromethyl)-3-fluoropyridine
CID 114042760
1-[3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105391129
4-(chloromethyl)-3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine
CID 105383793
N-[[2-(3-bromo-4-fluorophenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391727
3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide
CID 107060638
4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine
CID 105383887
2-[[4-(chloromethyl)-3-fluoro-2-pyridinyl]oxy]-N,N-dimethylethanamine
CID 105383808
4-(chloromethyl)-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine
CID 105383749

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine?
The IUPAC name of 4-(chloromethyl)-3-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine (CID 105383893) is 4-(chloromethyl)-3-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine.
What is the SMILES notation for 4-(chloromethyl)-3-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine?
The canonical SMILES for 4-(chloromethyl)-3-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine is Cc1cc(Oc2nccc(CCl)c2F)ccc1F.
What is the InChIKey of 4-(chloromethyl)-3-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine?
The InChIKey is RZLMWJNGSOEXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO/c1-8-6-10(2-3-11(8)15)18-13-12(16)9(7-14)4-5-17-13/h2-6H,7H2,1H3.
What are the key properties of 4-(chloromethyl)-3-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine?
4-(chloromethyl)-3-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine has a molecular weight of 269.68 g/mol, XLogP of 4.20, 3 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-(4-fluoro-3-methylphenoxy)pyridine is sourced from PubChem (CID 105383893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).