3-[(5-bromo-3-pyridinyl)methoxy]-1-benzofuran-2-carbonitrile

C15H9BrN2O2 — CID 104797275

IUPAC3-[(5-bromo-3-pyridinyl)methoxy]-1-benzofuran-2-carbonitrile
SMILESN#Cc1oc2ccccc2c1OCc1cncc(Br)c1
InChIInChI=1S/C15H9BrN2O2/c16-11-5-10(7-18-8-11)9-19-15-12-3-1-2-4-13(12)20-14(15)6-17/h1-5,7-8H,9H2
InChIKeyKVHLXVLJJFBHJP-UHFFFAOYSA-N
MW329.15 g/mol
LogP4.04
Rot. Bonds3

About 3-[(5-bromo-3-pyridinyl)methoxy]-1-benzofuran-2-carbonitrile

3-[(5-bromo-3-pyridinyl)methoxy]-1-benzofuran-2-carbonitrile (PubChem CID 104797275) has the molecular formula C15H9BrN2O2 and a molecular weight of 329.15 g/mol. Its IUPAC name is 3-[(5-bromo-3-pyridinyl)methoxy]-1-benzofuran-2-carbonitrile.

Molecular Properties

Compound Name3-[(5-bromo-3-pyridinyl)methoxy]-1-benzofuran-2-carbonitrile
PubChem CID104797275
Molecular FormulaC15H9BrN2O2
Molecular Weight329.15 g/mol
Exact Mass327.98
IUPAC Name3-[(5-bromo-3-pyridinyl)methoxy]-1-benzofuran-2-carbonitrile
SMILESN#Cc1oc2ccccc2c1OCc1cncc(Br)c1
InChIInChI=1S/C15H9BrN2O2/c16-11-5-10(7-18-8-11)9-19-15-12-3-1-2-4-13(12)20-14(15)6-17/h1-5,7-8H,9H2
InChIKeyKVHLXVLJJFBHJP-UHFFFAOYSA-N
XLogP4.04
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-difluorophenyl)methoxy]-1-benzofuran-2-carbonitrile
CID 105403452
2-[(5-bromo-3-pyridinyl)methoxy]-6-fluorobenzonitrile
CID 115766284
3-[(E)-2,3-dichloroprop-2-enoxy]-1-benzofuran-2-carbonitrile
CID 113399659
3-(4-bromo-2-cyanophenoxy)-1-benzofuran-2-carbonitrile
CID 114891094
3-[(Z)-3-chloro-2-methylprop-2-enoxy]-1-benzofuran-2-carbonitrile
CID 106438468
3-[5-bromo-2-(bromomethyl)phenoxy]-1-benzofuran-2-carbonitrile
CID 107089130
3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
CID 115580496
3-[2-(2-aminoethoxy)ethoxy]-1-benzofuran-2-carbonitrile
CID 103482585
3-bromo-5-[(4-bromophenoxy)methyl]pyridine
CID 115580483
2-[(5-bromo-3-pyridinyl)methoxy]-3-fluoroaniline
CID 113458205
2-[(5-bromo-3-pyridinyl)methoxy]-3-methylaniline
CID 113454032
3-[(5-bromo-3-pyridinyl)methoxy]-5-methoxybenzonitrile
CID 103567139

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-pyridinyl)methoxy]-1-benzofuran-2-carbonitrile?
The IUPAC name of 3-[(5-bromo-3-pyridinyl)methoxy]-1-benzofuran-2-carbonitrile (CID 104797275) is 3-[(5-bromo-3-pyridinyl)methoxy]-1-benzofuran-2-carbonitrile.
What is the SMILES notation for 3-[(5-bromo-3-pyridinyl)methoxy]-1-benzofuran-2-carbonitrile?
The canonical SMILES for 3-[(5-bromo-3-pyridinyl)methoxy]-1-benzofuran-2-carbonitrile is N#Cc1oc2ccccc2c1OCc1cncc(Br)c1.
What is the InChIKey of 3-[(5-bromo-3-pyridinyl)methoxy]-1-benzofuran-2-carbonitrile?
The InChIKey is KVHLXVLJJFBHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2O2/c16-11-5-10(7-18-8-11)9-19-15-12-3-1-2-4-13(12)20-14(15)6-17/h1-5,7-8H,9H2.
What are the key properties of 3-[(5-bromo-3-pyridinyl)methoxy]-1-benzofuran-2-carbonitrile?
3-[(5-bromo-3-pyridinyl)methoxy]-1-benzofuran-2-carbonitrile has a molecular weight of 329.15 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-pyridinyl)methoxy]-1-benzofuran-2-carbonitrile is sourced from PubChem (CID 104797275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).