5-bromo-2-chloro-4-methoxypyridin-3-amine

C6H6BrClN2O — CID 146155449

IUPAC5-bromo-2-chloro-4-methoxypyridin-3-amine
SMILESCOc1c(Br)cnc(Cl)c1N
InChIInChI=1S/C6H6BrClN2O/c1-11-5-3(7)2-10-6(8)4(5)9/h2H,9H2,1H3
InChIKeyFDAHSJLVYPPOFD-UHFFFAOYSA-N
MW237.48 g/mol
LogP2.09
Rot. Bonds1

About 5-bromo-2-chloro-4-methoxypyridin-3-amine

5-bromo-2-chloro-4-methoxypyridin-3-amine (PubChem CID 146155449) has the molecular formula C6H6BrClN2O and a molecular weight of 237.48 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-methoxypyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-methoxypyridin-3-amine
PubChem CID146155449
Molecular FormulaC6H6BrClN2O
Molecular Weight237.48 g/mol
Exact Mass235.94
IUPAC Name5-bromo-2-chloro-4-methoxypyridin-3-amine
SMILESCOc1c(Br)cnc(Cl)c1N
InChIInChI=1S/C6H6BrClN2O/c1-11-5-3(7)2-10-6(8)4(5)9/h2H,9H2,1H3
InChIKeyFDAHSJLVYPPOFD-UHFFFAOYSA-N
XLogP2.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.48
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-methoxypyridin-3-amine?
The IUPAC name of 5-bromo-2-chloro-4-methoxypyridin-3-amine (CID 146155449) is 5-bromo-2-chloro-4-methoxypyridin-3-amine.
What is the SMILES notation for 5-bromo-2-chloro-4-methoxypyridin-3-amine?
The canonical SMILES for 5-bromo-2-chloro-4-methoxypyridin-3-amine is COc1c(Br)cnc(Cl)c1N.
What is the InChIKey of 5-bromo-2-chloro-4-methoxypyridin-3-amine?
The InChIKey is FDAHSJLVYPPOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrClN2O/c1-11-5-3(7)2-10-6(8)4(5)9/h2H,9H2,1H3.
What are the key properties of 5-bromo-2-chloro-4-methoxypyridin-3-amine?
5-bromo-2-chloro-4-methoxypyridin-3-amine has a molecular weight of 237.48 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-methoxypyridin-3-amine is sourced from PubChem (CID 146155449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).