3-(1-chloro-7-methoxynaphthalen-2-yl)-5-fluoropyridine

C16H11ClFNO — CID 71818088

IUPAC3-(1-chloro-7-methoxynaphthalen-2-yl)-5-fluoropyridine
SMILESCOc1ccc2ccc(-c3cncc(F)c3)c(Cl)c2c1
InChIInChI=1S/C16H11ClFNO/c1-20-13-4-2-10-3-5-14(16(17)15(10)7-13)11-6-12(18)9-19-8-11/h2-9H,1H3
InChIKeyRPIYHUIWRDPDMU-UHFFFAOYSA-N
MW287.72 g/mol
LogP4.70
Rot. Bonds2

About 3-(1-chloro-7-methoxynaphthalen-2-yl)-5-fluoropyridine

3-(1-chloro-7-methoxynaphthalen-2-yl)-5-fluoropyridine (PubChem CID 71818088) has the molecular formula C16H11ClFNO and a molecular weight of 287.72 g/mol. Its IUPAC name is 3-(1-chloro-7-methoxynaphthalen-2-yl)-5-fluoropyridine.

Molecular Properties

Compound Name3-(1-chloro-7-methoxynaphthalen-2-yl)-5-fluoropyridine
PubChem CID71818088
Molecular FormulaC16H11ClFNO
Molecular Weight287.72 g/mol
Exact Mass287.05
IUPAC Name3-(1-chloro-7-methoxynaphthalen-2-yl)-5-fluoropyridine
SMILESCOc1ccc2ccc(-c3cncc(F)c3)c(Cl)c2c1
InChIInChI=1S/C16H11ClFNO/c1-20-13-4-2-10-3-5-14(16(17)15(10)7-13)11-6-12(18)9-19-8-11/h2-9H,1H3
InChIKeyRPIYHUIWRDPDMU-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-7-methoxynaphthalen-2-yl)-5-fluoropyridine?
The IUPAC name of 3-(1-chloro-7-methoxynaphthalen-2-yl)-5-fluoropyridine (CID 71818088) is 3-(1-chloro-7-methoxynaphthalen-2-yl)-5-fluoropyridine.
What is the SMILES notation for 3-(1-chloro-7-methoxynaphthalen-2-yl)-5-fluoropyridine?
The canonical SMILES for 3-(1-chloro-7-methoxynaphthalen-2-yl)-5-fluoropyridine is COc1ccc2ccc(-c3cncc(F)c3)c(Cl)c2c1.
What is the InChIKey of 3-(1-chloro-7-methoxynaphthalen-2-yl)-5-fluoropyridine?
The InChIKey is RPIYHUIWRDPDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO/c1-20-13-4-2-10-3-5-14(16(17)15(10)7-13)11-6-12(18)9-19-8-11/h2-9H,1H3.
What are the key properties of 3-(1-chloro-7-methoxynaphthalen-2-yl)-5-fluoropyridine?
3-(1-chloro-7-methoxynaphthalen-2-yl)-5-fluoropyridine 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-7-methoxynaphthalen-2-yl)-5-fluoropyridine is sourced from PubChem (CID 71818088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).