3-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine

C16H17NO — CID 25180304

IUPAC3-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine
SMILESCOC1CCc2cc(-c3cccnc3)ccc2C1
InChIInChI=1S/C16H17NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-5,8-9,11,16H,6-7,10H2,1H3
InChIKeyLPKACSKZPXNEBK-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.25
Rot. Bonds2

About 3-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine

3-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine (PubChem CID 25180304) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine.

Molecular Properties

Compound Name3-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine
PubChem CID25180304
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine
SMILESCOC1CCc2cc(-c3cccnc3)ccc2C1
InChIInChI=1S/C16H17NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-5,8-9,11,16H,6-7,10H2,1H3
InChIKeyLPKACSKZPXNEBK-UHFFFAOYSA-N
XLogP3.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Abiraterone
CID 132971
Abiraterone Acetate
CID 9821849
(3R,5S,10S,13S)-10,13-Dimethyl-17-pyridin-3-yl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 44461377
6-Pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 25180104
3-(5,6,7,8-Tetrahydronaphthalen-2-yl)pyridine
CID 25180303
Abiraterone Impurity 89
CID 10247264
(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-4-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 10450499
(3S,10R,13S,17S)-10,13-Dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 44461174
6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine
CID 66683200
(3S,8R,10R,13S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 118618017
(1S,2R,5S,7R,9R,11R,12S,16S)-2,16-dimethyl-15-pyridin-3-ylpentacyclo[9.7.0.02,7.07,9.012,16]octadec-14-en-5-ol
CID 126761305
(3S,5S,8R,9S,10S,13S,14S)-17-isoquinolin-7-yl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 138453479

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine?
The IUPAC name of 3-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine (CID 25180304) is 3-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine.
What is the SMILES notation for 3-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine?
The canonical SMILES for 3-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine is COC1CCc2cc(-c3cccnc3)ccc2C1.
What is the InChIKey of 3-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine?
The InChIKey is LPKACSKZPXNEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-5,8-9,11,16H,6-7,10H2,1H3.
What are the key properties of 3-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine?
3-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine has a molecular weight of 239.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine is sourced from PubChem (CID 25180304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).