2-(3-bromophenoxy)-6-chloropyridin-3-amine

C11H8BrClN2O — CID 115474432

IUPAC2-(3-bromophenoxy)-6-chloropyridin-3-amine
SMILESNc1ccc(Cl)nc1Oc1cccc(Br)c1
InChIInChI=1S/C11H8BrClN2O/c12-7-2-1-3-8(6-7)16-11-9(14)4-5-10(13)15-11/h1-6H,14H2
InChIKeyVKPVCVFKBASLPT-UHFFFAOYSA-N
MW299.56 g/mol
LogP3.87
Rot. Bonds2

About 2-(3-bromophenoxy)-6-chloropyridin-3-amine

2-(3-bromophenoxy)-6-chloropyridin-3-amine (PubChem CID 115474432) has the molecular formula C11H8BrClN2O and a molecular weight of 299.56 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-6-chloropyridin-3-amine.

Molecular Properties

Compound Name2-(3-bromophenoxy)-6-chloropyridin-3-amine
PubChem CID115474432
Molecular FormulaC11H8BrClN2O
Molecular Weight299.56 g/mol
Exact Mass297.95
IUPAC Name2-(3-bromophenoxy)-6-chloropyridin-3-amine
SMILESNc1ccc(Cl)nc1Oc1cccc(Br)c1
InChIInChI=1S/C11H8BrClN2O/c12-7-2-1-3-8(6-7)16-11-9(14)4-5-10(13)15-11/h1-6H,14H2
InChIKeyVKPVCVFKBASLPT-UHFFFAOYSA-N
XLogP3.87
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.56
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenoxy)pyridin-3-amine
CID 16782330
2-(5-bromo-2-methylphenoxy)-6-chloropyridin-3-amine
CID 107283340
5-bromo-2-(3-bromophenoxy)pyridin-3-amine
CID 61228290
3-(3-bromophenoxy)-1-methylpyrazol-4-amine
CID 103079054
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridin-3-amine
CID 102713947
6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine
CID 115474542
6-(3-bromophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
CID 43262127
6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine
CID 115474420
6-(3-bromophenoxy)-2-(2-methylpropoxy)pyridin-3-amine
CID 43262128
4-[(3-amino-6-chloro-2-pyridinyl)oxy]-2-fluorobenzonitrile
CID 113317073
5-bromo-2-(3-bromophenoxy)aniline
CID 29030936
3-amino-6-(3-bromophenoxy)pyridine-2-carbonitrile
CID 103469480

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-6-chloropyridin-3-amine?
The IUPAC name of 2-(3-bromophenoxy)-6-chloropyridin-3-amine (CID 115474432) is 2-(3-bromophenoxy)-6-chloropyridin-3-amine.
What is the SMILES notation for 2-(3-bromophenoxy)-6-chloropyridin-3-amine?
The canonical SMILES for 2-(3-bromophenoxy)-6-chloropyridin-3-amine is Nc1ccc(Cl)nc1Oc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)-6-chloropyridin-3-amine?
The InChIKey is VKPVCVFKBASLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O/c12-7-2-1-3-8(6-7)16-11-9(14)4-5-10(13)15-11/h1-6H,14H2.
What are the key properties of 2-(3-bromophenoxy)-6-chloropyridin-3-amine?
2-(3-bromophenoxy)-6-chloropyridin-3-amine has a molecular weight of 299.56 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-6-chloropyridin-3-amine is sourced from PubChem (CID 115474432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).