4-(chloromethyl)-2-propyl-6-(2-thiophen-2-ylethoxy)pyridine

C15H18ClNOS — CID 113380852

IUPAC4-(chloromethyl)-2-propyl-6-(2-thiophen-2-ylethoxy)pyridine
SMILESCCCc1cc(CCl)cc(OCCc2cccs2)n1
InChIInChI=1S/C15H18ClNOS/c1-2-4-13-9-12(11-16)10-15(17-13)18-7-6-14-5-3-8-19-14/h3,5,8-10H,2,4,6-7,11H2,1H3
InChIKeyYSKHYKIFPIOJIN-UHFFFAOYSA-N
MW295.83 g/mol
LogP4.46
Rot. Bonds7

About 4-(chloromethyl)-2-propyl-6-(2-thiophen-2-ylethoxy)pyridine

4-(chloromethyl)-2-propyl-6-(2-thiophen-2-ylethoxy)pyridine (PubChem CID 113380852) has the molecular formula C15H18ClNOS and a molecular weight of 295.83 g/mol. Its IUPAC name is 4-(chloromethyl)-2-propyl-6-(2-thiophen-2-ylethoxy)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-propyl-6-(2-thiophen-2-ylethoxy)pyridine
PubChem CID113380852
Molecular FormulaC15H18ClNOS
Molecular Weight295.83 g/mol
Exact Mass295.08
IUPAC Name4-(chloromethyl)-2-propyl-6-(2-thiophen-2-ylethoxy)pyridine
SMILESCCCc1cc(CCl)cc(OCCc2cccs2)n1
InChIInChI=1S/C15H18ClNOS/c1-2-4-13-9-12(11-16)10-15(17-13)18-7-6-14-5-3-8-19-14/h3,5,8-10H,2,4,6-7,11H2,1H3
InChIKeyYSKHYKIFPIOJIN-UHFFFAOYSA-N
XLogP4.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-propyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
CID 80949925
2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]thiophene
CID 63776256
N,4-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-2-amine
CID 80872249
4-(chloromethyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propylpyridine
CID 102722614
2-methyl-N-[[6-(2-thiophen-2-ylethoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66465894
4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873586
3-chloro-5-(2-thiophen-2-ylethoxy)-1,2,4-triazine
CID 115001002
N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine
CID 62323331
3,5-dichloro-N-propyl-6-(2-thiophen-2-ylethoxy)pyridin-2-amine
CID 102760896
2-[2-(3-ethylphenoxy)ethyl]thiophene
CID 64764928
2-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80949557
[2-[3-(2-methoxyethoxy)propoxy]-6-propyl-4-pyridinyl]methanol
CID 103403974

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-propyl-6-(2-thiophen-2-ylethoxy)pyridine?
The IUPAC name of 4-(chloromethyl)-2-propyl-6-(2-thiophen-2-ylethoxy)pyridine (CID 113380852) is 4-(chloromethyl)-2-propyl-6-(2-thiophen-2-ylethoxy)pyridine.
What is the SMILES notation for 4-(chloromethyl)-2-propyl-6-(2-thiophen-2-ylethoxy)pyridine?
The canonical SMILES for 4-(chloromethyl)-2-propyl-6-(2-thiophen-2-ylethoxy)pyridine is CCCc1cc(CCl)cc(OCCc2cccs2)n1.
What is the InChIKey of 4-(chloromethyl)-2-propyl-6-(2-thiophen-2-ylethoxy)pyridine?
The InChIKey is YSKHYKIFPIOJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-2-4-13-9-12(11-16)10-15(17-13)18-7-6-14-5-3-8-19-14/h3,5,8-10H,2,4,6-7,11H2,1H3.
What are the key properties of 4-(chloromethyl)-2-propyl-6-(2-thiophen-2-ylethoxy)pyridine?
4-(chloromethyl)-2-propyl-6-(2-thiophen-2-ylethoxy)pyridine has a molecular weight of 295.83 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-propyl-6-(2-thiophen-2-ylethoxy)pyridine is sourced from PubChem (CID 113380852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).