3-[[2-(2-aminoethyl)-6-bromophenoxy]methyl]pyridine-2-carbonitrile

C15H14BrN3O — CID 62894966

IUPAC3-[[2-(2-aminoethyl)-6-bromophenoxy]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1COc1c(Br)cccc1CCN
InChIInChI=1S/C15H14BrN3O/c16-13-5-1-3-11(6-7-17)15(13)20-10-12-4-2-8-19-14(12)9-18/h1-5,8H,6-7,10,17H2
InChIKeyRNKIITKCDRLYNA-UHFFFAOYSA-N
MW332.20 g/mol
LogP2.80
Rot. Bonds5

About 3-[[2-(2-aminoethyl)-6-bromophenoxy]methyl]pyridine-2-carbonitrile

3-[[2-(2-aminoethyl)-6-bromophenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 62894966) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 3-[[2-(2-aminoethyl)-6-bromophenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[2-(2-aminoethyl)-6-bromophenoxy]methyl]pyridine-2-carbonitrile
PubChem CID62894966
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name3-[[2-(2-aminoethyl)-6-bromophenoxy]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1COc1c(Br)cccc1CCN
InChIInChI=1S/C15H14BrN3O/c16-13-5-1-3-11(6-7-17)15(13)20-10-12-4-2-8-19-14(12)9-18/h1-5,8H,6-7,10,17H2
InChIKeyRNKIITKCDRLYNA-UHFFFAOYSA-N
XLogP2.80
TPSA71.93 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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(2-aminoethyl)-6-fluorophenoxy]methyl]pyridine-2-carbonitrile
CID 115957951
3-(2-aminoethyl)pyridine-2-carbonitrile
CID 83872418
3-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile
CID 55128345
3-[[2-(2-aminoethyl)-6-bromophenoxy]methyl]-4-fluorobenzonitrile
CID 61392006
3-[[2-(aminomethyl)-4-bromo-6-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 115960853
3-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridine-2-carbonitrile
CID 103289458
3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 62889971
3-[(2-bromo-4-chlorophenoxy)methyl]pyridine-2-carbonitrile
CID 62919246
3-[(2,6-dibromo-4-nitrophenoxy)methyl]pyridine-2-carbonitrile
CID 62920278
2-(3-bromo-2-ethoxyphenyl)ethanamine
CID 61391880
2-[3-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 114857497
2-[3-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 61391970

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-aminoethyl)-6-bromophenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[2-(2-aminoethyl)-6-bromophenoxy]methyl]pyridine-2-carbonitrile (CID 62894966) is 3-[[2-(2-aminoethyl)-6-bromophenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[2-(2-aminoethyl)-6-bromophenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[2-(2-aminoethyl)-6-bromophenoxy]methyl]pyridine-2-carbonitrile is N#Cc1ncccc1COc1c(Br)cccc1CCN.
What is the InChIKey of 3-[[2-(2-aminoethyl)-6-bromophenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is RNKIITKCDRLYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c16-13-5-1-3-11(6-7-17)15(13)20-10-12-4-2-8-19-14(12)9-18/h1-5,8H,6-7,10,17H2.
What are the key properties of 3-[[2-(2-aminoethyl)-6-bromophenoxy]methyl]pyridine-2-carbonitrile?
3-[[2-(2-aminoethyl)-6-bromophenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 332.20 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-aminoethyl)-6-bromophenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62894966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).