5-bromo-4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carbonitrile

C15H13BrN2O2 — CID 163208906

IUPAC5-bromo-4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carbonitrile
SMILESCOc1ccc(COCc2cc(C#N)ncc2Br)cc1
InChIInChI=1S/C15H13BrN2O2/c1-19-14-4-2-11(3-5-14)9-20-10-12-6-13(7-17)18-8-15(12)16/h2-6,8H,9-10H2,1H3
InChIKeyNDJROMCDYXJGMG-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.44
Rot. Bonds5

About 5-bromo-4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carbonitrile

5-bromo-4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carbonitrile (PubChem CID 163208906) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 5-bromo-4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-bromo-4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carbonitrile
PubChem CID163208906
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name5-bromo-4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carbonitrile
SMILESCOc1ccc(COCc2cc(C#N)ncc2Br)cc1
InChIInChI=1S/C15H13BrN2O2/c1-19-14-4-2-11(3-5-14)9-20-10-12-6-13(7-17)18-8-15(12)16/h2-6,8H,9-10H2,1H3
InChIKeyNDJROMCDYXJGMG-UHFFFAOYSA-N
XLogP3.44
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-fluoro-5-[(4-methoxyphenyl)methoxymethyl]pyridine
CID 59548291
5-bromo-2-[(4-methoxyphenyl)methoxymethyl]-3-pyrrolidin-1-ylpyridine
CID 178070910
2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 61177256
5-[(4-methoxyphenyl)methoxymethyl]-2,4-dimethylpyridin-3-ol
CID 155358636
6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142987
4,5-dibromopyridine-2-carbonitrile
CID 118846548
3-bromo-5-[(4-methoxyphenyl)methoxymethyl]-1-methylpyrazole
CID 135124741
4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175864824
1-bromo-3-[(4-methoxyphenyl)methoxymethyl]-2-methylbenzene;1,4-dioxane
CID 159917178
1-fluoro-2-[(4-methoxyphenyl)methoxymethyl]benzene
CID 145304623
5-(2-bromo-4-methoxyphenoxy)pyrazine-2-carbonitrile
CID 104707141
[5-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanamine
CID 62291690

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carbonitrile?
The IUPAC name of 5-bromo-4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carbonitrile (CID 163208906) is 5-bromo-4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-bromo-4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-bromo-4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carbonitrile is COc1ccc(COCc2cc(C#N)ncc2Br)cc1.
What is the InChIKey of 5-bromo-4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carbonitrile?
The InChIKey is NDJROMCDYXJGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-19-14-4-2-11(3-5-14)9-20-10-12-6-13(7-17)18-8-15(12)16/h2-6,8H,9-10H2,1H3.
What are the key properties of 5-bromo-4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carbonitrile?
5-bromo-4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carbonitrile has a molecular weight of 333.19 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 163208906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).