5-chloro-2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyridine

C15H15Cl2NO — CID 170746947

IUPAC5-chloro-2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyridine
SMILESCC(C)c1ccc(OCc2ccc(Cl)cn2)c(Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-10(2)11-3-6-15(14(17)7-11)19-9-13-5-4-12(16)8-18-13/h3-8,10H,9H2,1-2H3
InChIKeyHEBBUBOJXOFLIN-UHFFFAOYSA-N
MW296.20 g/mol
LogP5.09
Rot. Bonds4

About 5-chloro-2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyridine

5-chloro-2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyridine (PubChem CID 170746947) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 5-chloro-2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyridine
PubChem CID170746947
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name5-chloro-2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyridine
SMILESCC(C)c1ccc(OCc2ccc(Cl)cn2)c(Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-10(2)11-3-6-15(14(17)7-11)19-9-13-5-4-12(16)8-18-13/h3-8,10H,9H2,1-2H3
InChIKeyHEBBUBOJXOFLIN-UHFFFAOYSA-N
XLogP5.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.20
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyridine-3-carbonitrile
CID 170746832
2-[(2-chloro-4-propan-2-ylphenoxy)methyl]-6-methylpyridine
CID 154993538
2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyrimidine
CID 170747061
2-chloro-1-(2-fluoro-2-methylpropoxy)-4-propan-2-ylbenzene
CID 121387225
5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine
CID 104809665
1-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881647
5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine
CID 104799142
5-bromo-2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyridine
CID 113454507
4-[(2-bromo-4-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 170746441
(1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 113389810
2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid
CID 51057233
1,3-bis(2-chloro-4-propan-2-ylphenoxy)-5-propan-2-ylbenzene
CID 59573981

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyridine?
The IUPAC name of 5-chloro-2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyridine (CID 170746947) is 5-chloro-2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyridine.
What is the SMILES notation for 5-chloro-2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyridine?
The canonical SMILES for 5-chloro-2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyridine is CC(C)c1ccc(OCc2ccc(Cl)cn2)c(Cl)c1.
What is the InChIKey of 5-chloro-2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyridine?
The InChIKey is HEBBUBOJXOFLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-10(2)11-3-6-15(14(17)7-11)19-9-13-5-4-12(16)8-18-13/h3-8,10H,9H2,1-2H3.
What are the key properties of 5-chloro-2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyridine?
5-chloro-2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyridine has a molecular weight of 296.20 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyridine is sourced from PubChem (CID 170746947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).