3-[(6-bromo-1-benzofuran-2-yl)methoxy]pyridine

C14H10BrNO2 — CID 117179394

IUPAC3-[(6-bromo-1-benzofuran-2-yl)methoxy]pyridine
SMILESBrc1ccc2cc(COc3cccnc3)oc2c1
InChIInChI=1S/C14H10BrNO2/c15-11-4-3-10-6-13(18-14(10)7-11)9-17-12-2-1-5-16-8-12/h1-8H,9H2
InChIKeyQXNXWRXSFDTEGC-UHFFFAOYSA-N
MW304.14 g/mol
LogP4.17
Rot. Bonds3

About 3-[(6-bromo-1-benzofuran-2-yl)methoxy]pyridine

3-[(6-bromo-1-benzofuran-2-yl)methoxy]pyridine (PubChem CID 117179394) has the molecular formula C14H10BrNO2 and a molecular weight of 304.14 g/mol. Its IUPAC name is 3-[(6-bromo-1-benzofuran-2-yl)methoxy]pyridine.

Molecular Properties

Compound Name3-[(6-bromo-1-benzofuran-2-yl)methoxy]pyridine
PubChem CID117179394
Molecular FormulaC14H10BrNO2
Molecular Weight304.14 g/mol
Exact Mass302.99
IUPAC Name3-[(6-bromo-1-benzofuran-2-yl)methoxy]pyridine
SMILESBrc1ccc2cc(COc3cccnc3)oc2c1
InChIInChI=1S/C14H10BrNO2/c15-11-4-3-10-6-13(18-14(10)7-11)9-17-12-2-1-5-16-8-12/h1-8H,9H2
InChIKeyQXNXWRXSFDTEGC-UHFFFAOYSA-N
XLogP4.17
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyridin-3-yloxymethyl)-1-benzofuran-7-ol
CID 117182846
3-[(5-chloro-1-benzofuran-2-yl)methoxy]pyridine
CID 117175979
3-[(4-fluoro-1-benzofuran-2-yl)methoxy]pyridine
CID 117172370
6-chloro-2-(phenoxymethyl)-1-benzofuran
CID 117179310
2-(pyridin-3-yloxymethyl)-1-benzofuran-4-carboxylic acid
CID 117172450
6-chloro-2-[(3-chlorophenoxy)methyl]-1-benzofuran
CID 117179353
2-[(3-bromophenoxy)methyl]-1-benzofuran-7-ol
CID 117182804
[2-methyl-5-(pyridin-3-yloxymethyl)furan-3-yl]methanamine
CID 62449563
2-(6-bromo-1-benzofuran-2-yl)ethanamine
CID 71291046
2-[(4-bromophenoxy)methyl]-1-benzofuran-7-ol
CID 117182831
2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran
CID 117185820
2-(pyridin-3-yloxymethyl)-1,3-oxazole
CID 54003976

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-1-benzofuran-2-yl)methoxy]pyridine?
The IUPAC name of 3-[(6-bromo-1-benzofuran-2-yl)methoxy]pyridine (CID 117179394) is 3-[(6-bromo-1-benzofuran-2-yl)methoxy]pyridine.
What is the SMILES notation for 3-[(6-bromo-1-benzofuran-2-yl)methoxy]pyridine?
The canonical SMILES for 3-[(6-bromo-1-benzofuran-2-yl)methoxy]pyridine is Brc1ccc2cc(COc3cccnc3)oc2c1.
What is the InChIKey of 3-[(6-bromo-1-benzofuran-2-yl)methoxy]pyridine?
The InChIKey is QXNXWRXSFDTEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2/c15-11-4-3-10-6-13(18-14(10)7-11)9-17-12-2-1-5-16-8-12/h1-8H,9H2.
What are the key properties of 3-[(6-bromo-1-benzofuran-2-yl)methoxy]pyridine?
3-[(6-bromo-1-benzofuran-2-yl)methoxy]pyridine has a molecular weight of 304.14 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-1-benzofuran-2-yl)methoxy]pyridine is sourced from PubChem (CID 117179394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).