3-(3-amino-5-bromophenoxy)pyridine-2-carbonitrile

C12H8BrN3O — CID 103589175

IUPAC3-(3-amino-5-bromophenoxy)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1Oc1cc(N)cc(Br)c1
InChIInChI=1S/C12H8BrN3O/c13-8-4-9(15)6-10(5-8)17-12-2-1-3-16-11(12)7-14/h1-6H,15H2
InChIKeyFELPAIHLGHPJEJ-UHFFFAOYSA-N
MW290.12 g/mol
LogP3.09
Rot. Bonds2

About 3-(3-amino-5-bromophenoxy)pyridine-2-carbonitrile

3-(3-amino-5-bromophenoxy)pyridine-2-carbonitrile (PubChem CID 103589175) has the molecular formula C12H8BrN3O and a molecular weight of 290.12 g/mol. Its IUPAC name is 3-(3-amino-5-bromophenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-amino-5-bromophenoxy)pyridine-2-carbonitrile
PubChem CID103589175
Molecular FormulaC12H8BrN3O
Molecular Weight290.12 g/mol
Exact Mass288.99
IUPAC Name3-(3-amino-5-bromophenoxy)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1Oc1cc(N)cc(Br)c1
InChIInChI=1S/C12H8BrN3O/c13-8-4-9(15)6-10(5-8)17-12-2-1-3-16-11(12)7-14/h1-6H,15H2
InChIKeyFELPAIHLGHPJEJ-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

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile
CID 55128345
3-[(3-amino-5-chloro-2-pyridinyl)oxy]pyridine-2-carbonitrile
CID 59849804
3-(2-bromo-4-chloro-5-fluorophenoxy)pyridine-2-carbonitrile
CID 114042653
5-bromo-3-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carbonitrile
CID 67485726
3-(3-bromo-5-chlorophenoxy)-4-chloropyridine-2-carbonitrile
CID 59529783
3-bromo-5-quinoxalin-2-yloxyaniline
CID 103589192
3-bromo-5-(quinolin-8-ylmethoxy)aniline
CID 103588108
3-(fluoromethoxy)pyridine-2-carbonitrile
CID 172801646
3-bromo-5-(7-chloroquinolin-4-yl)oxyaniline
CID 103589147
3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 62889971
3-bromo-5-[(5-fluoro-2-pyridinyl)oxy]aniline
CID 103589096
3-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile
CID 103201672

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-bromophenoxy)pyridine-2-carbonitrile?
The IUPAC name of 3-(3-amino-5-bromophenoxy)pyridine-2-carbonitrile (CID 103589175) is 3-(3-amino-5-bromophenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(3-amino-5-bromophenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 3-(3-amino-5-bromophenoxy)pyridine-2-carbonitrile is N#Cc1ncccc1Oc1cc(N)cc(Br)c1.
What is the InChIKey of 3-(3-amino-5-bromophenoxy)pyridine-2-carbonitrile?
The InChIKey is FELPAIHLGHPJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O/c13-8-4-9(15)6-10(5-8)17-12-2-1-3-16-11(12)7-14/h1-6H,15H2.
What are the key properties of 3-(3-amino-5-bromophenoxy)pyridine-2-carbonitrile?
3-(3-amino-5-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-(3-amino-5-bromophenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 103589175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).