2-(6-bromonaphthalen-2-yl)oxy-5-(trifluoromethyl)pyridine

C16H9BrF3NO — CID 2435522

IUPAC2-(6-bromonaphthalen-2-yl)oxy-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(Oc2ccc3cc(Br)ccc3c2)nc1
InChIInChI=1S/C16H9BrF3NO/c17-13-4-1-11-8-14(5-2-10(11)7-13)22-15-6-3-12(9-21-15)16(18,19)20/h1-9H
InChIKeyKVESKBCTYGVWLB-UHFFFAOYSA-N
MW368.15 g/mol
LogP5.81
Rot. Bonds2

About 2-(6-bromonaphthalen-2-yl)oxy-5-(trifluoromethyl)pyridine

2-(6-bromonaphthalen-2-yl)oxy-5-(trifluoromethyl)pyridine (PubChem CID 2435522) has the molecular formula C16H9BrF3NO and a molecular weight of 368.15 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxy-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxy-5-(trifluoromethyl)pyridine
PubChem CID2435522
Molecular FormulaC16H9BrF3NO
Molecular Weight368.15 g/mol
Exact Mass366.98
IUPAC Name2-(6-bromonaphthalen-2-yl)oxy-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(Oc2ccc3cc(Br)ccc3c2)nc1
InChIInChI=1S/C16H9BrF3NO/c17-13-4-1-11-8-14(5-2-10(11)7-13)22-15-6-3-12(9-21-15)16(18,19)20/h1-9H
InChIKeyKVESKBCTYGVWLB-UHFFFAOYSA-N
XLogP5.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.15
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-5-(trifluoromethyl)pyridine (CID 2435522) is 2-(6-bromonaphthalen-2-yl)oxy-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxy-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxy-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(Oc2ccc3cc(Br)ccc3c2)nc1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxy-5-(trifluoromethyl)pyridine?
The InChIKey is KVESKBCTYGVWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF3NO/c17-13-4-1-11-8-14(5-2-10(11)7-13)22-15-6-3-12(9-21-15)16(18,19)20/h1-9H.
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxy-5-(trifluoromethyl)pyridine?
2-(6-bromonaphthalen-2-yl)oxy-5-(trifluoromethyl)pyridine has a molecular weight of 368.15 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 2435522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).