6-bromo-2-chloro-4-N-ethylpyridine-3,4-diamine

C7H9BrClN3 — CID 59868417

IUPAC6-bromo-2-chloro-4-N-ethylpyridine-3,4-diamine
SMILESCCNc1cc(Br)nc(Cl)c1N
InChIInChI=1S/C7H9BrClN3/c1-2-11-4-3-5(8)12-7(9)6(4)10/h3H,2,10H2,1H3,(H,11,12)
InChIKeyFPZOEXHTFAXNCO-UHFFFAOYSA-N
MW250.53 g/mol
LogP2.51
Rot. Bonds2

About 6-bromo-2-chloro-4-N-ethylpyridine-3,4-diamine

6-bromo-2-chloro-4-N-ethylpyridine-3,4-diamine (PubChem CID 59868417) has the molecular formula C7H9BrClN3 and a molecular weight of 250.53 g/mol. Its IUPAC name is 6-bromo-2-chloro-4-N-ethylpyridine-3,4-diamine.

Molecular Properties

Compound Name6-bromo-2-chloro-4-N-ethylpyridine-3,4-diamine
PubChem CID59868417
Molecular FormulaC7H9BrClN3
Molecular Weight250.53 g/mol
Exact Mass248.97
IUPAC Name6-bromo-2-chloro-4-N-ethylpyridine-3,4-diamine
SMILESCCNc1cc(Br)nc(Cl)c1N
InChIInChI=1S/C7H9BrClN3/c1-2-11-4-3-5(8)12-7(9)6(4)10/h3H,2,10H2,1H3,(H,11,12)
InChIKeyFPZOEXHTFAXNCO-UHFFFAOYSA-N
XLogP2.51
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.53
LogP ≤ 52.51
H-Bond Donors ≤ 52
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 6-bromo-2-chloro-4-N-ethylpyridine-3,4-diamine?
The IUPAC name of 6-bromo-2-chloro-4-N-ethylpyridine-3,4-diamine (CID 59868417) is 6-bromo-2-chloro-4-N-ethylpyridine-3,4-diamine.
What is the SMILES notation for 6-bromo-2-chloro-4-N-ethylpyridine-3,4-diamine?
The canonical SMILES for 6-bromo-2-chloro-4-N-ethylpyridine-3,4-diamine is CCNc1cc(Br)nc(Cl)c1N.
What is the InChIKey of 6-bromo-2-chloro-4-N-ethylpyridine-3,4-diamine?
The InChIKey is FPZOEXHTFAXNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrClN3/c1-2-11-4-3-5(8)12-7(9)6(4)10/h3H,2,10H2,1H3,(H,11,12).
What are the key properties of 6-bromo-2-chloro-4-N-ethylpyridine-3,4-diamine?
6-bromo-2-chloro-4-N-ethylpyridine-3,4-diamine has a molecular weight of 250.53 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-4-N-ethylpyridine-3,4-diamine is sourced from PubChem (CID 59868417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).