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

C14H11Br2N3O — CID 107741577

IUPAC4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2c(Br)cc(CN)cc2Br)ccn1
InChIInChI=1S/C14H11Br2N3O/c15-12-4-10(6-17)5-13(16)14(12)20-8-9-1-2-19-11(3-9)7-18/h1-5H,6,8,17H2
InChIKeyDNAHLTVRPSFBRW-UHFFFAOYSA-N
MW397.07 g/mol
LogP3.52
Rot. Bonds4

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

4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 107741577) has the molecular formula C14H11Br2N3O and a molecular weight of 397.07 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]pyridine-2-carbonitrile
PubChem CID107741577
Molecular FormulaC14H11Br2N3O
Molecular Weight397.07 g/mol
Exact Mass394.93
IUPAC Name4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2c(Br)cc(CN)cc2Br)ccn1
InChIInChI=1S/C14H11Br2N3O/c15-12-4-10(6-17)5-13(16)14(12)20-8-9-1-2-19-11(3-9)7-18/h1-5H,6,8,17H2
InChIKeyDNAHLTVRPSFBRW-UHFFFAOYSA-N
XLogP3.52
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.07
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile
CID 63889415
4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887840
4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile
CID 63880574
4-[[2-(aminomethyl)-4-bromophenoxy]methyl]pyridine-2-carbonitrile
CID 63888036
4-[(4-bromo-3-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 65203604
4-[[2-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887638
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-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63882551
[3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 107741287
4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol
CID 107741447
4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine-2-carbonitrile
CID 63880588

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]pyridine-2-carbonitrile (CID 107741577) is 4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]pyridine-2-carbonitrile is N#Cc1cc(COc2c(Br)cc(CN)cc2Br)ccn1.
What is the InChIKey of 4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is DNAHLTVRPSFBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2N3O/c15-12-4-10(6-17)5-13(16)14(12)20-8-9-1-2-19-11(3-9)7-18/h1-5H,6,8,17H2.
What are the key properties of 4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]pyridine-2-carbonitrile?
4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 397.07 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 107741577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).