3-amino-6-(3-bromophenoxy)pyridine-2-carbonitrile

C12H8BrN3O — CID 103469480

IUPAC3-amino-6-(3-bromophenoxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(Oc2cccc(Br)c2)ccc1N
InChIInChI=1S/C12H8BrN3O/c13-8-2-1-3-9(6-8)17-12-5-4-10(15)11(7-14)16-12/h1-6H,15H2
InChIKeyAEEXZTGQHSWGFJ-UHFFFAOYSA-N
MW290.12 g/mol
LogP3.09
Rot. Bonds2

About 3-amino-6-(3-bromophenoxy)pyridine-2-carbonitrile

3-amino-6-(3-bromophenoxy)pyridine-2-carbonitrile (PubChem CID 103469480) has the molecular formula C12H8BrN3O and a molecular weight of 290.12 g/mol. Its IUPAC name is 3-amino-6-(3-bromophenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(3-bromophenoxy)pyridine-2-carbonitrile
PubChem CID103469480
Molecular FormulaC12H8BrN3O
Molecular Weight290.12 g/mol
Exact Mass288.99
IUPAC Name3-amino-6-(3-bromophenoxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(Oc2cccc(Br)c2)ccc1N
InChIInChI=1S/C12H8BrN3O/c13-8-2-1-3-9(6-8)17-12-5-4-10(15)11(7-14)16-12/h1-6H,15H2
InChIKeyAEEXZTGQHSWGFJ-UHFFFAOYSA-N
XLogP3.09
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
CID 43262127
3-amino-6-[(5-chloro-3-pyridinyl)oxy]pyridine-2-carbonitrile
CID 103469729
2-bromo-6-(3-bromophenoxy)pyridine
CID 63962984
3-amino-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
CID 103469607
6-(3-bromophenoxy)-2-(2-methylpropoxy)pyridin-3-amine
CID 43262128
4-[(5-amino-6-cyano-2-pyridinyl)oxy]-2-fluorobenzamide
CID 103469765
4-(3-bromophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80915072
2-(3-bromophenoxy)-6-chloropyridin-3-amine
CID 115474432
2-(3-bromophenoxy)pyridin-3-amine
CID 16782330
3-amino-6-[(2-methylpropan-2-yl)oxy]pyridine-2-carbonitrile
CID 103469587
2-[(5-amino-6-cyano-2-pyridinyl)oxy]benzamide
CID 103469546
[6-(3-bromophenoxy)pyrazin-2-yl]methanol
CID 66466850

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-bromophenoxy)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(3-bromophenoxy)pyridine-2-carbonitrile (CID 103469480) is 3-amino-6-(3-bromophenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(3-bromophenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(3-bromophenoxy)pyridine-2-carbonitrile is N#Cc1nc(Oc2cccc(Br)c2)ccc1N.
What is the InChIKey of 3-amino-6-(3-bromophenoxy)pyridine-2-carbonitrile?
The InChIKey is AEEXZTGQHSWGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O/c13-8-2-1-3-9(6-8)17-12-5-4-10(15)11(7-14)16-12/h1-6H,15H2.
What are the key properties of 3-amino-6-(3-bromophenoxy)pyridine-2-carbonitrile?
3-amino-6-(3-bromophenoxy)pyridine-2-carbonitrile has a molecular weight of 290.12 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-bromophenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 103469480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).