5-bromo-1-ethyl-2H-pyridine

C7H10BrN — CID 141104573

IUPAC5-bromo-1-ethyl-2H-pyridine
SMILESCCN1C=C(Br)C=CC1
InChIInChI=1S/C7H10BrN/c1-2-9-5-3-4-7(8)6-9/h3-4,6H,2,5H2,1H3
InChIKeyMFZYZUWSDHMIBI-UHFFFAOYSA-N
MW188.07 g/mol
LogP2.11
Rot. Bonds1

About 5-bromo-1-ethyl-2H-pyridine

5-bromo-1-ethyl-2H-pyridine (PubChem CID 141104573) has the molecular formula C7H10BrN and a molecular weight of 188.07 g/mol. Its IUPAC name is 5-bromo-1-ethyl-2H-pyridine.

Molecular Properties

Compound Name5-bromo-1-ethyl-2H-pyridine
PubChem CID141104573
Molecular FormulaC7H10BrN
Molecular Weight188.07 g/mol
Exact Mass187.00
IUPAC Name5-bromo-1-ethyl-2H-pyridine
SMILESCCN1C=C(Br)C=CC1
InChIInChI=1S/C7H10BrN/c1-2-9-5-3-4-7(8)6-9/h3-4,6H,2,5H2,1H3
InChIKeyMFZYZUWSDHMIBI-UHFFFAOYSA-N
XLogP2.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.07
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-2H-pyridine?
The IUPAC name of 5-bromo-1-ethyl-2H-pyridine (CID 141104573) is 5-bromo-1-ethyl-2H-pyridine.
What is the SMILES notation for 5-bromo-1-ethyl-2H-pyridine?
The canonical SMILES for 5-bromo-1-ethyl-2H-pyridine is CCN1C=C(Br)C=CC1.
What is the InChIKey of 5-bromo-1-ethyl-2H-pyridine?
The InChIKey is MFZYZUWSDHMIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN/c1-2-9-5-3-4-7(8)6-9/h3-4,6H,2,5H2,1H3.
What are the key properties of 5-bromo-1-ethyl-2H-pyridine?
5-bromo-1-ethyl-2H-pyridine has a molecular weight of 188.07 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethyl-2H-pyridine is sourced from PubChem (CID 141104573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).