2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine

C16H12BrNO — CID 54942869

IUPAC2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine
SMILESBrc1ccc2cc(OCc3ccccn3)ccc2c1
InChIInChI=1S/C16H12BrNO/c17-14-6-4-13-10-16(7-5-12(13)9-14)19-11-15-3-1-2-8-18-15/h1-10H,11H2
InChIKeyQDCLDSMBKNTUOM-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.58
Rot. Bonds3

About 2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine

2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine (PubChem CID 54942869) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is 2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine.

Molecular Properties

Compound Name2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine
PubChem CID54942869
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine
SMILESBrc1ccc2cc(OCc3ccccn3)ccc2c1
InChIInChI=1S/C16H12BrNO/c17-14-6-4-13-10-16(7-5-12(13)9-14)19-11-15-3-1-2-8-18-15/h1-10H,11H2
InChIKeyQDCLDSMBKNTUOM-UHFFFAOYSA-N
XLogP4.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.58
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)oxymethyl]pyridine?
The IUPAC name of 2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine (CID 54942869) is 2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine.
What is the SMILES notation for 2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine?
The canonical SMILES for 2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine is Brc1ccc2cc(OCc3ccccn3)ccc2c1.
What is the InChIKey of 2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine?
The InChIKey is QDCLDSMBKNTUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c17-14-6-4-13-10-16(7-5-12(13)9-14)19-11-15-3-1-2-8-18-15/h1-10H,11H2.
What are the key properties of 2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine?
2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine has a molecular weight of 314.18 g/mol, XLogP of 4.58, 3 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)oxymethyl]pyridine is sourced from PubChem (CID 54942869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).