4-(chloromethyl)-2-ethyl-6-(2-methylpentoxy)pyridine

C14H22ClNO — CID 103284574

IUPAC4-(chloromethyl)-2-ethyl-6-(2-methylpentoxy)pyridine
SMILESCCCC(C)COc1cc(CCl)cc(CC)n1
InChIInChI=1S/C14H22ClNO/c1-4-6-11(3)10-17-14-8-12(9-15)7-13(5-2)16-14/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyNVMIWRUZJDZYLP-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.20
Rot. Bonds7

About 4-(chloromethyl)-2-ethyl-6-(2-methylpentoxy)pyridine

4-(chloromethyl)-2-ethyl-6-(2-methylpentoxy)pyridine (PubChem CID 103284574) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-(chloromethyl)-2-ethyl-6-(2-methylpentoxy)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-ethyl-6-(2-methylpentoxy)pyridine
PubChem CID103284574
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name4-(chloromethyl)-2-ethyl-6-(2-methylpentoxy)pyridine
SMILESCCCC(C)COc1cc(CCl)cc(CC)n1
InChIInChI=1S/C14H22ClNO/c1-4-6-11(3)10-17-14-8-12(9-15)7-13(5-2)16-14/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyNVMIWRUZJDZYLP-UHFFFAOYSA-N
XLogP4.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
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

N-[[2-ethyl-6-(2-methylpentoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103285465
4-(chloromethyl)-2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine
CID 104564267
4-chloro-2-(methoxymethyl)-6-(2-methylpentoxy)pyrimidine
CID 103283647
2-chloro-6-(2-methylpentoxy)pyridine
CID 103283629
4-(chloromethyl)-2-fluoro-1-(2-methylpentoxy)benzene
CID 107691330
N-methyl-1-[2-(2-methylpentoxy)-4-pyridinyl]methanamine
CID 103285375
4-hydrazinyl-6-(2-methylpentoxy)pyrimidin-2-amine
CID 103286528
2-(2-methylpentoxy)quinoline-4-carboxylic acid
CID 103283216
N-[[6-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine
CID 103285393
6-(2-methylpentoxy)pyridine-2,3-diamine
CID 103282925
4-(chloromethyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propylpyridine
CID 102722614
4-(chloromethyl)-5-(2-methylpentoxy)-2-propan-2-ylpyrimidine
CID 103284564

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-ethyl-6-(2-methylpentoxy)pyridine?
The IUPAC name of 4-(chloromethyl)-2-ethyl-6-(2-methylpentoxy)pyridine (CID 103284574) is 4-(chloromethyl)-2-ethyl-6-(2-methylpentoxy)pyridine.
What is the SMILES notation for 4-(chloromethyl)-2-ethyl-6-(2-methylpentoxy)pyridine?
The canonical SMILES for 4-(chloromethyl)-2-ethyl-6-(2-methylpentoxy)pyridine is CCCC(C)COc1cc(CCl)cc(CC)n1.
What is the InChIKey of 4-(chloromethyl)-2-ethyl-6-(2-methylpentoxy)pyridine?
The InChIKey is NVMIWRUZJDZYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-6-11(3)10-17-14-8-12(9-15)7-13(5-2)16-14/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of 4-(chloromethyl)-2-ethyl-6-(2-methylpentoxy)pyridine?
4-(chloromethyl)-2-ethyl-6-(2-methylpentoxy)pyridine has a molecular weight of 255.79 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-ethyl-6-(2-methylpentoxy)pyridine is sourced from PubChem (CID 103284574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).