3-[[4-bromo-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile

C15H14BrN3O — CID 62888583

IUPAC3-[[4-bromo-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
SMILESCNCc1cc(Br)ccc1OCc1cccnc1C#N
InChIInChI=1S/C15H14BrN3O/c1-18-9-12-7-13(16)4-5-15(12)20-10-11-3-2-6-19-14(11)8-17/h2-7,18H,9-10H2,1H3
InChIKeyUVYWXSWLLWDYFD-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.01
Rot. Bonds5

About 3-[[4-bromo-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile

3-[[4-bromo-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 62888583) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 3-[[4-bromo-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[4-bromo-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
PubChem CID62888583
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name3-[[4-bromo-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
SMILESCNCc1cc(Br)ccc1OCc1cccnc1C#N
InChIInChI=1S/C15H14BrN3O/c1-18-9-12-7-13(16)4-5-15(12)20-10-11-3-2-6-19-14(11)8-17/h2-7,18H,9-10H2,1H3
InChIKeyUVYWXSWLLWDYFD-UHFFFAOYSA-N
XLogP3.01
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-methyl-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63323490
3-[(2-acetyl-5-bromophenoxy)methyl]pyridine-2-carbonitrile
CID 102948082
3-[[2-(bromomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 55200531
4-[[4-bromo-2-(methylaminomethyl)phenoxy]methyl]-3-methylbenzonitrile
CID 114479466
3-[(2-bromo-4-chlorophenoxy)methyl]pyridine-2-carbonitrile
CID 62919246
3-[[2-(aminomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 55205880
3-[[2-(propylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62888578
3-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbonitrile
CID 107658072
1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine
CID 60891835
3-[[2-(aminomethyl)-4-bromo-6-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 115960853
3-[[4-(ethylaminomethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile
CID 107686850
3-[[2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 62895682

Frequently Asked Questions

What is the IUPAC name of 3-[[4-bromo-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[4-bromo-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile (CID 62888583) is 3-[[4-bromo-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[4-bromo-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[4-bromo-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile is CNCc1cc(Br)ccc1OCc1cccnc1C#N.
What is the InChIKey of 3-[[4-bromo-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is UVYWXSWLLWDYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-18-9-12-7-13(16)4-5-15(12)20-10-11-3-2-6-19-14(11)8-17/h2-7,18H,9-10H2,1H3.
What are the key properties of 3-[[4-bromo-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile?
3-[[4-bromo-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 332.20 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-bromo-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62888583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).