3-(chloromethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine

C16H16ClNO — CID 81234042

IUPAC3-(chloromethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine
SMILESClCc1cnccc1OC1CCCc2ccccc21
InChIInChI=1S/C16H16ClNO/c17-10-13-11-18-9-8-15(13)19-16-7-3-5-12-4-1-2-6-14(12)16/h1-2,4,6,8-9,11,16H,3,5,7,10H2
InChIKeyOIJOBCRLFUIBBI-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.28
Rot. Bonds3

About 3-(chloromethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine

3-(chloromethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine (PubChem CID 81234042) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 3-(chloromethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine
PubChem CID81234042
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name3-(chloromethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine
SMILESClCc1cnccc1OC1CCCc2ccccc21
InChIInChI=1S/C16H16ClNO/c17-10-13-11-18-9-8-15(13)19-16-7-3-5-12-4-1-2-6-14(12)16/h1-2,4,6,8-9,11,16H,3,5,7,10H2
InChIKeyOIJOBCRLFUIBBI-UHFFFAOYSA-N
XLogP4.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.28
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

1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
2,4-dichloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,5-triazine
CID 62859248
6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazin-2-amine
CID 80646899
5-chloro-3-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine
CID 79727300
(1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
CID 78937787
1,2,3,4-tetrahydronaphthalen-1-yl 3-fluoropyridine-4-carboxylate
CID 115646681
[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-5-yl]methanamine
CID 83188819
5-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridin-3-amine
CID 103518708
2-fluoro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 60790202
5-chloro-N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine
CID 80860332
4-(chloromethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazole
CID 43138207
4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 66101922

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine?
The IUPAC name of 3-(chloromethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine (CID 81234042) is 3-(chloromethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine.
What is the SMILES notation for 3-(chloromethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine?
The canonical SMILES for 3-(chloromethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine is ClCc1cnccc1OC1CCCc2ccccc21.
What is the InChIKey of 3-(chloromethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine?
The InChIKey is OIJOBCRLFUIBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-10-13-11-18-9-8-15(13)19-16-7-3-5-12-4-1-2-6-14(12)16/h1-2,4,6,8-9,11,16H,3,5,7,10H2.
What are the key properties of 3-(chloromethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine?
3-(chloromethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine has a molecular weight of 273.76 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine is sourced from PubChem (CID 81234042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).