2-bromo-6-chloro-N-(2-ethoxyethyl)pyridin-4-amine

C9H12BrClN2O — CID 166385603

IUPAC2-bromo-6-chloro-N-(2-ethoxyethyl)pyridin-4-amine
SMILESCCOCCNc1cc(Cl)nc(Br)c1
InChIInChI=1S/C9H12BrClN2O/c1-2-14-4-3-12-7-5-8(10)13-9(11)6-7/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyIHYZKIVGDYNMER-UHFFFAOYSA-N
MW279.56 g/mol
LogP2.95
Rot. Bonds5

About 2-bromo-6-chloro-N-(2-ethoxyethyl)pyridin-4-amine

2-bromo-6-chloro-N-(2-ethoxyethyl)pyridin-4-amine (PubChem CID 166385603) has the molecular formula C9H12BrClN2O and a molecular weight of 279.56 g/mol. Its IUPAC name is 2-bromo-6-chloro-N-(2-ethoxyethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-bromo-6-chloro-N-(2-ethoxyethyl)pyridin-4-amine
PubChem CID166385603
Molecular FormulaC9H12BrClN2O
Molecular Weight279.56 g/mol
Exact Mass277.98
IUPAC Name2-bromo-6-chloro-N-(2-ethoxyethyl)pyridin-4-amine
SMILESCCOCCNc1cc(Cl)nc(Br)c1
InChIInChI=1S/C9H12BrClN2O/c1-2-14-4-3-12-7-5-8(10)13-9(11)6-7/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyIHYZKIVGDYNMER-UHFFFAOYSA-N
XLogP2.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.56
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-N-(2-ethoxyethyl)pyridin-4-amine?
The IUPAC name of 2-bromo-6-chloro-N-(2-ethoxyethyl)pyridin-4-amine (CID 166385603) is 2-bromo-6-chloro-N-(2-ethoxyethyl)pyridin-4-amine.
What is the SMILES notation for 2-bromo-6-chloro-N-(2-ethoxyethyl)pyridin-4-amine?
The canonical SMILES for 2-bromo-6-chloro-N-(2-ethoxyethyl)pyridin-4-amine is CCOCCNc1cc(Cl)nc(Br)c1.
What is the InChIKey of 2-bromo-6-chloro-N-(2-ethoxyethyl)pyridin-4-amine?
The InChIKey is IHYZKIVGDYNMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrClN2O/c1-2-14-4-3-12-7-5-8(10)13-9(11)6-7/h5-6H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-bromo-6-chloro-N-(2-ethoxyethyl)pyridin-4-amine?
2-bromo-6-chloro-N-(2-ethoxyethyl)pyridin-4-amine has a molecular weight of 279.56 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-N-(2-ethoxyethyl)pyridin-4-amine is sourced from PubChem (CID 166385603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).