2-(2-bromo-2-cyclopropylethyl)-3,5-dichloropyridine

C10H10BrCl2N — CID 63353675

IUPAC2-(2-bromo-2-cyclopropylethyl)-3,5-dichloropyridine
SMILESClc1cnc(CC(Br)C2CC2)c(Cl)c1
InChIInChI=1S/C10H10BrCl2N/c11-8(6-1-2-6)4-10-9(13)3-7(12)5-14-10/h3,5-6,8H,1-2,4H2
InChIKeyNJPKEQHVCRRCSQ-UHFFFAOYSA-N
MW295.01 g/mol
LogP4.10
Rot. Bonds3

About 2-(2-bromo-2-cyclopropylethyl)-3,5-dichloropyridine

2-(2-bromo-2-cyclopropylethyl)-3,5-dichloropyridine (PubChem CID 63353675) has the molecular formula C10H10BrCl2N and a molecular weight of 295.01 g/mol. Its IUPAC name is 2-(2-bromo-2-cyclopropylethyl)-3,5-dichloropyridine.

Molecular Properties

Compound Name2-(2-bromo-2-cyclopropylethyl)-3,5-dichloropyridine
PubChem CID63353675
Molecular FormulaC10H10BrCl2N
Molecular Weight295.01 g/mol
Exact Mass292.94
IUPAC Name2-(2-bromo-2-cyclopropylethyl)-3,5-dichloropyridine
SMILESClc1cnc(CC(Br)C2CC2)c(Cl)c1
InChIInChI=1S/C10H10BrCl2N/c11-8(6-1-2-6)4-10-9(13)3-7(12)5-14-10/h3,5-6,8H,1-2,4H2
InChIKeyNJPKEQHVCRRCSQ-UHFFFAOYSA-N
XLogP4.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.01
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-2-cyclopropylethyl)-3,5-dichloropyridine?
The IUPAC name of 2-(2-bromo-2-cyclopropylethyl)-3,5-dichloropyridine (CID 63353675) is 2-(2-bromo-2-cyclopropylethyl)-3,5-dichloropyridine.
What is the SMILES notation for 2-(2-bromo-2-cyclopropylethyl)-3,5-dichloropyridine?
The canonical SMILES for 2-(2-bromo-2-cyclopropylethyl)-3,5-dichloropyridine is Clc1cnc(CC(Br)C2CC2)c(Cl)c1.
What is the InChIKey of 2-(2-bromo-2-cyclopropylethyl)-3,5-dichloropyridine?
The InChIKey is NJPKEQHVCRRCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl2N/c11-8(6-1-2-6)4-10-9(13)3-7(12)5-14-10/h3,5-6,8H,1-2,4H2.
What are the key properties of 2-(2-bromo-2-cyclopropylethyl)-3,5-dichloropyridine?
2-(2-bromo-2-cyclopropylethyl)-3,5-dichloropyridine has a molecular weight of 295.01 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-2-cyclopropylethyl)-3,5-dichloropyridine is sourced from PubChem (CID 63353675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).