2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine

C14H12ClF2NO — CID 105404335

IUPAC2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine
SMILESCc1ccc(OCc2cc(F)cc(F)c2)c(CCl)n1
InChIInChI=1S/C14H12ClF2NO/c1-9-2-3-14(13(7-15)18-9)19-8-10-4-11(16)6-12(17)5-10/h2-6H,7-8H2,1H3
InChIKeyMJUODUJHJNMMCF-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.99
Rot. Bonds4

About 2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine

2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine (PubChem CID 105404335) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is 2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine
PubChem CID105404335
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine
SMILESCc1ccc(OCc2cc(F)cc(F)c2)c(CCl)n1
InChIInChI=1S/C14H12ClF2NO/c1-9-2-3-14(13(7-15)18-9)19-8-10-4-11(16)6-12(17)5-10/h2-6H,7-8H2,1H3
InChIKeyMJUODUJHJNMMCF-UHFFFAOYSA-N
XLogP3.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 53.99
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-[(3-bromo-5-fluorophenyl)methoxy]-2-(bromomethyl)-6-methylpyridine
CID 79705713
3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 105403665
1-[3-[(3-bromo-5-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 79710901
3-[(5-bromo-2-fluorophenyl)methoxy]-2-(chloromethyl)-6-methylpyridine
CID 79168706
6-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline
CID 79163844
[3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 115980216
2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-methylpyridine
CID 79169539
1-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-3,5-difluorobenzene
CID 107698765
2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine
CID 79169537
1-[3-[(3-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79169165
5-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-1,3-thiazole
CID 112641160
2-(chloromethyl)-6-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine
CID 79168623

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine?
The IUPAC name of 2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine (CID 105404335) is 2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine.
What is the SMILES notation for 2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine?
The canonical SMILES for 2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine is Cc1ccc(OCc2cc(F)cc(F)c2)c(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine?
The InChIKey is MJUODUJHJNMMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c1-9-2-3-14(13(7-15)18-9)19-8-10-4-11(16)6-12(17)5-10/h2-6H,7-8H2,1H3.
What are the key properties of 2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine?
2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine has a molecular weight of 283.71 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine is sourced from PubChem (CID 105404335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).