4-[[2-(aminomethyl)-4-bromophenoxy]methyl]pyridine-2-carbonitrile

C14H12BrN3O — CID 63888036

IUPAC4-[[2-(aminomethyl)-4-bromophenoxy]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2ccc(Br)cc2CN)ccn1
InChIInChI=1S/C14H12BrN3O/c15-12-1-2-14(11(6-12)7-16)19-9-10-3-4-18-13(5-10)8-17/h1-6H,7,9,16H2
InChIKeyBYCLZMIWMJHEDY-UHFFFAOYSA-N
MW318.17 g/mol
LogP2.75
Rot. Bonds4

About 4-[[2-(aminomethyl)-4-bromophenoxy]methyl]pyridine-2-carbonitrile

4-[[2-(aminomethyl)-4-bromophenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 63888036) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)-4-bromophenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[2-(aminomethyl)-4-bromophenoxy]methyl]pyridine-2-carbonitrile
PubChem CID63888036
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name4-[[2-(aminomethyl)-4-bromophenoxy]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2ccc(Br)cc2CN)ccn1
InChIInChI=1S/C14H12BrN3O/c15-12-1-2-14(11(6-12)7-16)19-9-10-3-4-18-13(5-10)8-17/h1-6H,7,9,16H2
InChIKeyBYCLZMIWMJHEDY-UHFFFAOYSA-N
XLogP2.75
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887638
4-[[2-[(1S)-1-aminoethyl]-4-bromophenoxy]methyl]pyridine-2-carbonitrile
CID 78953406
4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile
CID 63880574
4-[[2-(2-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63882198
4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]pyridine-2-carbonitrile
CID 107741577
[5-bromo-2-(quinolin-6-ylmethoxy)phenyl]methanamine
CID 28981655
4-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile
CID 63889415
4-[[2-(2-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 107712438
4-[[4-fluoro-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 107695260
4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887840
4-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carbonitrile
CID 63882145
4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63883843

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)-4-bromophenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[2-(aminomethyl)-4-bromophenoxy]methyl]pyridine-2-carbonitrile (CID 63888036) is 4-[[2-(aminomethyl)-4-bromophenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[2-(aminomethyl)-4-bromophenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[2-(aminomethyl)-4-bromophenoxy]methyl]pyridine-2-carbonitrile is N#Cc1cc(COc2ccc(Br)cc2CN)ccn1.
What is the InChIKey of 4-[[2-(aminomethyl)-4-bromophenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is BYCLZMIWMJHEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c15-12-1-2-14(11(6-12)7-16)19-9-10-3-4-18-13(5-10)8-17/h1-6H,7,9,16H2.
What are the key properties of 4-[[2-(aminomethyl)-4-bromophenoxy]methyl]pyridine-2-carbonitrile?
4-[[2-(aminomethyl)-4-bromophenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 318.17 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)-4-bromophenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63888036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).