3-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-5-fluoropyridine

C15H15ClFNO — CID 114084526

IUPAC3-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-5-fluoropyridine
SMILESCc1cc(CCl)cc(C)c1OCc1cncc(F)c1
InChIInChI=1S/C15H15ClFNO/c1-10-3-12(6-16)4-11(2)15(10)19-9-13-5-14(17)8-18-7-13/h3-5,7-8H,6,9H2,1-2H3
InChIKeyLQHSSINSRLOWHZ-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.16
Rot. Bonds4

About 3-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-5-fluoropyridine

3-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-5-fluoropyridine (PubChem CID 114084526) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 3-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-5-fluoropyridine.

Molecular Properties

Compound Name3-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-5-fluoropyridine
PubChem CID114084526
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name3-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-5-fluoropyridine
SMILESCc1cc(CCl)cc(C)c1OCc1cncc(F)c1
InChIInChI=1S/C15H15ClFNO/c1-10-3-12(6-16)4-11(2)15(10)19-9-13-5-14(17)8-18-7-13/h3-5,7-8H,6,9H2,1-2H3
InChIKeyLQHSSINSRLOWHZ-UHFFFAOYSA-N
XLogP4.16
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.16
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-[(3,5-difluorophenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 105404106
2-[(5-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-dimethylbenzene
CID 103047032
[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-dimethylphenyl]methanamine
CID 104796055
2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-4-fluorobenzonitrile
CID 107906212
3-[(2-bromo-4-methoxyphenoxy)methyl]-5-fluoropyridine
CID 114084375
5-(chloromethyl)-2-[(2,5-dimethylphenyl)methoxy]-1,3-dimethylbenzene
CID 63535326
[3-[(4-chloro-2,6-dimethylphenoxy)methyl]-5-fluorophenyl]boronic acid
CID 79700723
2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 82888898
4-bromo-2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]thiophene
CID 63535500
[3,5-dimethoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]methanol
CID 102881591
5-(chloromethyl)-2-heptoxy-1,3-dimethylbenzene
CID 43129659
5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene
CID 79888109

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-5-fluoropyridine?
The IUPAC name of 3-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-5-fluoropyridine (CID 114084526) is 3-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-5-fluoropyridine.
What is the SMILES notation for 3-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-5-fluoropyridine?
The canonical SMILES for 3-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-5-fluoropyridine is Cc1cc(CCl)cc(C)c1OCc1cncc(F)c1.
What is the InChIKey of 3-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-5-fluoropyridine?
The InChIKey is LQHSSINSRLOWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10-3-12(6-16)4-11(2)15(10)19-9-13-5-14(17)8-18-7-13/h3-5,7-8H,6,9H2,1-2H3.
What are the key properties of 3-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-5-fluoropyridine?
3-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-5-fluoropyridine has a molecular weight of 279.74 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-5-fluoropyridine is sourced from PubChem (CID 114084526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).