3-(1-chloro-8-fluoro-7-methoxynaphthalen-2-yl)pyridine

C16H11ClFNO — CID 71818086

IUPAC3-(1-chloro-8-fluoro-7-methoxynaphthalen-2-yl)pyridine
SMILESCOc1ccc2ccc(-c3cccnc3)c(Cl)c2c1F
InChIInChI=1S/C16H11ClFNO/c1-20-13-7-5-10-4-6-12(11-3-2-8-19-9-11)15(17)14(10)16(13)18/h2-9H,1H3
InChIKeyHXMFOYHQXLDGBG-UHFFFAOYSA-N
MW287.72 g/mol
LogP4.70
Rot. Bonds2

About 3-(1-chloro-8-fluoro-7-methoxynaphthalen-2-yl)pyridine

3-(1-chloro-8-fluoro-7-methoxynaphthalen-2-yl)pyridine (PubChem CID 71818086) has the molecular formula C16H11ClFNO and a molecular weight of 287.72 g/mol. Its IUPAC name is 3-(1-chloro-8-fluoro-7-methoxynaphthalen-2-yl)pyridine.

Molecular Properties

Compound Name3-(1-chloro-8-fluoro-7-methoxynaphthalen-2-yl)pyridine
PubChem CID71818086
Molecular FormulaC16H11ClFNO
Molecular Weight287.72 g/mol
Exact Mass287.05
IUPAC Name3-(1-chloro-8-fluoro-7-methoxynaphthalen-2-yl)pyridine
SMILESCOc1ccc2ccc(-c3cccnc3)c(Cl)c2c1F
InChIInChI=1S/C16H11ClFNO/c1-20-13-7-5-10-4-6-12(11-3-2-8-19-9-11)15(17)14(10)16(13)18/h2-9H,1H3
InChIKeyHXMFOYHQXLDGBG-UHFFFAOYSA-N
XLogP4.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-chloro-8-fluoro-7-methoxynaphthalen-2-yl)pyridine?
The IUPAC name of 3-(1-chloro-8-fluoro-7-methoxynaphthalen-2-yl)pyridine (CID 71818086) is 3-(1-chloro-8-fluoro-7-methoxynaphthalen-2-yl)pyridine.
What is the SMILES notation for 3-(1-chloro-8-fluoro-7-methoxynaphthalen-2-yl)pyridine?
The canonical SMILES for 3-(1-chloro-8-fluoro-7-methoxynaphthalen-2-yl)pyridine is COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1F.
What is the InChIKey of 3-(1-chloro-8-fluoro-7-methoxynaphthalen-2-yl)pyridine?
The InChIKey is HXMFOYHQXLDGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO/c1-20-13-7-5-10-4-6-12(11-3-2-8-19-9-11)15(17)14(10)16(13)18/h2-9H,1H3.
What are the key properties of 3-(1-chloro-8-fluoro-7-methoxynaphthalen-2-yl)pyridine?
3-(1-chloro-8-fluoro-7-methoxynaphthalen-2-yl)pyridine has a molecular weight of 287.72 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloro-8-fluoro-7-methoxynaphthalen-2-yl)pyridine is sourced from PubChem (CID 71818086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).