3-[(5-bromo-3-pyridinyl)methoxy]-5-methoxybenzonitrile

C14H11BrN2O2 — CID 103567139

IUPAC3-[(5-bromo-3-pyridinyl)methoxy]-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(OCc2cncc(Br)c2)c1
InChIInChI=1S/C14H11BrN2O2/c1-18-13-3-10(6-16)4-14(5-13)19-9-11-2-12(15)8-17-7-11/h2-5,7-8H,9H2,1H3
InChIKeyLQUZNQBSVYPGRR-UHFFFAOYSA-N
MW319.16 g/mol
LogP3.30
Rot. Bonds4

About 3-[(5-bromo-3-pyridinyl)methoxy]-5-methoxybenzonitrile

3-[(5-bromo-3-pyridinyl)methoxy]-5-methoxybenzonitrile (PubChem CID 103567139) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is 3-[(5-bromo-3-pyridinyl)methoxy]-5-methoxybenzonitrile.

Molecular Properties

Compound Name3-[(5-bromo-3-pyridinyl)methoxy]-5-methoxybenzonitrile
PubChem CID103567139
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Name3-[(5-bromo-3-pyridinyl)methoxy]-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(OCc2cncc(Br)c2)c1
InChIInChI=1S/C14H11BrN2O2/c1-18-13-3-10(6-16)4-14(5-13)19-9-11-2-12(15)8-17-7-11/h2-5,7-8H,9H2,1H3
InChIKeyLQUZNQBSVYPGRR-UHFFFAOYSA-N
XLogP3.30
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-bromophenyl)methoxy]-5-methoxybenzonitrile
CID 103567180
3-[(5-bromo-2-pyridinyl)methoxy]-5-methoxybenzonitrile
CID 103566817
3-bromo-5-[(4-bromophenoxy)methyl]pyridine
CID 115580483
4-[(3,5-dimethoxyphenoxy)methyl]benzonitrile
CID 7707174
3-[(6-chloro-3-pyridinyl)methoxy]-5-methoxybenzonitrile
CID 103566677
4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzonitrile
CID 115580571
3-[(3-cyano-5-methoxyphenoxy)methyl]-5-fluorobenzonitrile
CID 103566793
3-bromo-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine
CID 115582278
3-bromo-5-[(4-iodophenoxy)methyl]pyridine
CID 115582275
3-[(4-bromo-2-fluorophenyl)methoxy]-5-methoxybenzonitrile
CID 103567000
3-[(2-amino-4-bromophenyl)methoxy]-5-methoxybenzonitrile
CID 103566498
3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
CID 115580496

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-pyridinyl)methoxy]-5-methoxybenzonitrile?
The IUPAC name of 3-[(5-bromo-3-pyridinyl)methoxy]-5-methoxybenzonitrile (CID 103567139) is 3-[(5-bromo-3-pyridinyl)methoxy]-5-methoxybenzonitrile.
What is the SMILES notation for 3-[(5-bromo-3-pyridinyl)methoxy]-5-methoxybenzonitrile?
The canonical SMILES for 3-[(5-bromo-3-pyridinyl)methoxy]-5-methoxybenzonitrile is COc1cc(C#N)cc(OCc2cncc(Br)c2)c1.
What is the InChIKey of 3-[(5-bromo-3-pyridinyl)methoxy]-5-methoxybenzonitrile?
The InChIKey is LQUZNQBSVYPGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c1-18-13-3-10(6-16)4-14(5-13)19-9-11-2-12(15)8-17-7-11/h2-5,7-8H,9H2,1H3.
What are the key properties of 3-[(5-bromo-3-pyridinyl)methoxy]-5-methoxybenzonitrile?
3-[(5-bromo-3-pyridinyl)methoxy]-5-methoxybenzonitrile has a molecular weight of 319.16 g/mol, XLogP of 3.30, 4 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]-5-methoxybenzonitrile is sourced from PubChem (CID 103567139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).