5-amino-6-(4-bromo-3-fluorophenoxy)pyridine-3-carbonitrile

C12H7BrFN3O — CID 103469739

IUPAC5-amino-6-(4-bromo-3-fluorophenoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(Oc2ccc(Br)c(F)c2)c(N)c1
InChIInChI=1S/C12H7BrFN3O/c13-9-2-1-8(4-10(9)14)18-12-11(16)3-7(5-15)6-17-12/h1-4,6H,16H2
InChIKeyCLMFSPHOLYJRRT-UHFFFAOYSA-N
MW308.11 g/mol
LogP3.23
Rot. Bonds2

About 5-amino-6-(4-bromo-3-fluorophenoxy)pyridine-3-carbonitrile

5-amino-6-(4-bromo-3-fluorophenoxy)pyridine-3-carbonitrile (PubChem CID 103469739) has the molecular formula C12H7BrFN3O and a molecular weight of 308.11 g/mol. Its IUPAC name is 5-amino-6-(4-bromo-3-fluorophenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(4-bromo-3-fluorophenoxy)pyridine-3-carbonitrile
PubChem CID103469739
Molecular FormulaC12H7BrFN3O
Molecular Weight308.11 g/mol
Exact Mass306.98
IUPAC Name5-amino-6-(4-bromo-3-fluorophenoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(Oc2ccc(Br)c(F)c2)c(N)c1
InChIInChI=1S/C12H7BrFN3O/c13-9-2-1-8(4-10(9)14)18-12-11(16)3-7(5-15)6-17-12/h1-4,6H,16H2
InChIKeyCLMFSPHOLYJRRT-UHFFFAOYSA-N
XLogP3.23
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.11
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-6-(4-bromo-3-fluorophenoxy)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
CID 103469823
5-amino-6-(4-tert-butylphenoxy)pyridine-3-carbonitrile
CID 103469462
4-amino-3-(4-bromo-3-fluorophenoxy)benzonitrile
CID 113444333
5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile
CID 103469582
2-(4-bromo-3-fluorophenoxy)-3,5-difluoropyridine
CID 112675508
5-amino-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 103469460
6-(4-bromo-3-fluorophenoxy)-5-methylpyridin-3-amine
CID 65203527
5-amino-6-(3-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 103469450
5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carbonitrile
CID 103469680
4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile
CID 66280001
4-(4-bromo-3-fluorophenoxy)benzene-1,2-diamine
CID 106748501
6-(4-bromo-3-fluorophenoxy)-4-methylpyridin-3-amine
CID 79176366

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-bromo-3-fluorophenoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(4-bromo-3-fluorophenoxy)pyridine-3-carbonitrile (CID 103469739) is 5-amino-6-(4-bromo-3-fluorophenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(4-bromo-3-fluorophenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(4-bromo-3-fluorophenoxy)pyridine-3-carbonitrile is N#Cc1cnc(Oc2ccc(Br)c(F)c2)c(N)c1.
What is the InChIKey of 5-amino-6-(4-bromo-3-fluorophenoxy)pyridine-3-carbonitrile?
The InChIKey is CLMFSPHOLYJRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFN3O/c13-9-2-1-8(4-10(9)14)18-12-11(16)3-7(5-15)6-17-12/h1-4,6H,16H2.
What are the key properties of 5-amino-6-(4-bromo-3-fluorophenoxy)pyridine-3-carbonitrile?
5-amino-6-(4-bromo-3-fluorophenoxy)pyridine-3-carbonitrile has a molecular weight of 308.11 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-bromo-3-fluorophenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 103469739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).