3,5-dichloro-4-[(2-chloro-4-fluorophenyl)methoxy]-2,6-dimethylpyridine

C14H11Cl3FNO — CID 134064787

IUPAC3,5-dichloro-4-[(2-chloro-4-fluorophenyl)methoxy]-2,6-dimethylpyridine
SMILESCc1nc(C)c(Cl)c(OCc2ccc(F)cc2Cl)c1Cl
InChIInChI=1S/C14H11Cl3FNO/c1-7-12(16)14(13(17)8(2)19-7)20-6-9-3-4-10(18)5-11(9)15/h3-5H,6H2,1-2H3
InChIKeyZFQZSVNXWLUGNN-UHFFFAOYSA-N
MW334.61 g/mol
LogP5.38
Rot. Bonds3

About 3,5-dichloro-4-[(2-chloro-4-fluorophenyl)methoxy]-2,6-dimethylpyridine

3,5-dichloro-4-[(2-chloro-4-fluorophenyl)methoxy]-2,6-dimethylpyridine (PubChem CID 134064787) has the molecular formula C14H11Cl3FNO and a molecular weight of 334.61 g/mol. Its IUPAC name is 3,5-dichloro-4-[(2-chloro-4-fluorophenyl)methoxy]-2,6-dimethylpyridine.

Molecular Properties

Compound Name3,5-dichloro-4-[(2-chloro-4-fluorophenyl)methoxy]-2,6-dimethylpyridine
PubChem CID134064787
Molecular FormulaC14H11Cl3FNO
Molecular Weight334.61 g/mol
Exact Mass332.99
IUPAC Name3,5-dichloro-4-[(2-chloro-4-fluorophenyl)methoxy]-2,6-dimethylpyridine
SMILESCc1nc(C)c(Cl)c(OCc2ccc(F)cc2Cl)c1Cl
InChIInChI=1S/C14H11Cl3FNO/c1-7-12(16)14(13(17)8(2)19-7)20-6-9-3-4-10(18)5-11(9)15/h3-5H,6H2,1-2H3
InChIKeyZFQZSVNXWLUGNN-UHFFFAOYSA-N
XLogP5.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.61
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
CID 112788881
5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-1-(chloromethyl)-3-methylbenzene
CID 115962301
1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene
CID 60627601
5-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-1,3-difluorobenzene
CID 79888589
2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 60627358
1-[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115961108
3-[(2-chloro-4-fluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929205
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115952569
1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene
CID 112614047
2-bromo-5-[(2-chloro-4-fluorophenyl)methoxy]pyridine
CID 103695197
2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60904969
2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzaldehyde
CID 112611712

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(2-chloro-4-fluorophenyl)methoxy]-2,6-dimethylpyridine?
The IUPAC name of 3,5-dichloro-4-[(2-chloro-4-fluorophenyl)methoxy]-2,6-dimethylpyridine (CID 134064787) is 3,5-dichloro-4-[(2-chloro-4-fluorophenyl)methoxy]-2,6-dimethylpyridine.
What is the SMILES notation for 3,5-dichloro-4-[(2-chloro-4-fluorophenyl)methoxy]-2,6-dimethylpyridine?
The canonical SMILES for 3,5-dichloro-4-[(2-chloro-4-fluorophenyl)methoxy]-2,6-dimethylpyridine is Cc1nc(C)c(Cl)c(OCc2ccc(F)cc2Cl)c1Cl.
What is the InChIKey of 3,5-dichloro-4-[(2-chloro-4-fluorophenyl)methoxy]-2,6-dimethylpyridine?
The InChIKey is ZFQZSVNXWLUGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3FNO/c1-7-12(16)14(13(17)8(2)19-7)20-6-9-3-4-10(18)5-11(9)15/h3-5H,6H2,1-2H3.
What are the key properties of 3,5-dichloro-4-[(2-chloro-4-fluorophenyl)methoxy]-2,6-dimethylpyridine?
3,5-dichloro-4-[(2-chloro-4-fluorophenyl)methoxy]-2,6-dimethylpyridine has a molecular weight of 334.61 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(2-chloro-4-fluorophenyl)methoxy]-2,6-dimethylpyridine is sourced from PubChem (CID 134064787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).