4-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile

C13H9Br2N3O — CID 63889415

IUPAC4-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2c(Br)cc(N)cc2Br)ccn1
InChIInChI=1S/C13H9Br2N3O/c14-11-4-9(17)5-12(15)13(11)19-7-8-1-2-18-10(3-8)6-16/h1-5H,7,17H2
InChIKeyOOHQKZDPSOZZJK-UHFFFAOYSA-N
MW383.04 g/mol
LogP3.64
Rot. Bonds3

About 4-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile

4-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile (PubChem CID 63889415) has the molecular formula C13H9Br2N3O and a molecular weight of 383.04 g/mol. Its IUPAC name is 4-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile
PubChem CID63889415
Molecular FormulaC13H9Br2N3O
Molecular Weight383.04 g/mol
Exact Mass380.91
IUPAC Name4-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2c(Br)cc(N)cc2Br)ccn1
InChIInChI=1S/C13H9Br2N3O/c14-11-4-9(17)5-12(15)13(11)19-7-8-1-2-18-10(3-8)6-16/h1-5H,7,17H2
InChIKeyOOHQKZDPSOZZJK-UHFFFAOYSA-N
XLogP3.64
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.04
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]pyridine-2-carbonitrile
CID 107741577
4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile
CID 63880574
4-[(3-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 63888827
4-[(4-bromo-3-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 65203604
4-[[2-chloro-6-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 112613526
4-[[2-bromo-6-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887268
4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine-2-carbonitrile
CID 63880588
4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63882551
3-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile
CID 55128345
4-[[2-(aminomethyl)-4-bromophenoxy]methyl]pyridine-2-carbonitrile
CID 63888036
4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63883843
(2-cyano-4-pyridinyl)methyl 4-aminobenzoate
CID 63881412

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile (CID 63889415) is 4-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile is N#Cc1cc(COc2c(Br)cc(N)cc2Br)ccn1.
What is the InChIKey of 4-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile?
The InChIKey is OOHQKZDPSOZZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2N3O/c14-11-4-9(17)5-12(15)13(11)19-7-8-1-2-18-10(3-8)6-16/h1-5H,7,17H2.
What are the key properties of 4-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile?
4-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile has a molecular weight of 383.04 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63889415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).