1-(1-bromoethyl)-2H-pyridine

C7H10BrN — CID 23094006

IUPAC1-(1-bromoethyl)-2H-pyridine
SMILESCC(Br)N1C=CC=CC1
InChIInChI=1S/C7H10BrN/c1-7(8)9-5-3-2-4-6-9/h2-5,7H,6H2,1H3
InChIKeySGRRJZGNLFRTPB-UHFFFAOYSA-N
MW188.07 g/mol
LogP2.11
Rot. Bonds1

About 1-(1-bromoethyl)-2H-pyridine

1-(1-bromoethyl)-2H-pyridine (PubChem CID 23094006) has the molecular formula C7H10BrN and a molecular weight of 188.07 g/mol. Its IUPAC name is 1-(1-bromoethyl)-2H-pyridine.

Molecular Properties

Compound Name1-(1-bromoethyl)-2H-pyridine
PubChem CID23094006
Molecular FormulaC7H10BrN
Molecular Weight188.07 g/mol
Exact Mass187.00
IUPAC Name1-(1-bromoethyl)-2H-pyridine
SMILESCC(Br)N1C=CC=CC1
InChIInChI=1S/C7H10BrN/c1-7(8)9-5-3-2-4-6-9/h2-5,7H,6H2,1H3
InChIKeySGRRJZGNLFRTPB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-bromoethyl)-2H-pyridine?
The IUPAC name of 1-(1-bromoethyl)-2H-pyridine (CID 23094006) is 1-(1-bromoethyl)-2H-pyridine.
What is the SMILES notation for 1-(1-bromoethyl)-2H-pyridine?
The canonical SMILES for 1-(1-bromoethyl)-2H-pyridine is CC(Br)N1C=CC=CC1.
What is the InChIKey of 1-(1-bromoethyl)-2H-pyridine?
The InChIKey is SGRRJZGNLFRTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN/c1-7(8)9-5-3-2-4-6-9/h2-5,7H,6H2,1H3.
What are the key properties of 1-(1-bromoethyl)-2H-pyridine?
1-(1-bromoethyl)-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 1-(1-bromoethyl)-2H-pyridine is sourced from PubChem (CID 23094006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).