3-bromo-4-chloro-5-cyclopropylpyridine

C8H7BrClN — CID 70977875

IUPAC3-bromo-4-chloro-5-cyclopropylpyridine
SMILESClc1c(Br)cncc1C1CC1
InChIInChI=1S/C8H7BrClN/c9-7-4-11-3-6(8(7)10)5-1-2-5/h3-5H,1-2H2
InChIKeyAFWXADKRIRQPIJ-UHFFFAOYSA-N
MW232.51 g/mol
LogP3.37
Rot. Bonds1

About 3-bromo-4-chloro-5-cyclopropylpyridine

3-bromo-4-chloro-5-cyclopropylpyridine (PubChem CID 70977875) has the molecular formula C8H7BrClN and a molecular weight of 232.51 g/mol. Its IUPAC name is 3-bromo-4-chloro-5-cyclopropylpyridine.

Molecular Properties

Compound Name3-bromo-4-chloro-5-cyclopropylpyridine
PubChem CID70977875
Molecular FormulaC8H7BrClN
Molecular Weight232.51 g/mol
Exact Mass230.95
IUPAC Name3-bromo-4-chloro-5-cyclopropylpyridine
SMILESClc1c(Br)cncc1C1CC1
InChIInChI=1S/C8H7BrClN/c9-7-4-11-3-6(8(7)10)5-1-2-5/h3-5H,1-2H2
InChIKeyAFWXADKRIRQPIJ-UHFFFAOYSA-N
XLogP3.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.51
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-5-cyclopropylpyridine?
The IUPAC name of 3-bromo-4-chloro-5-cyclopropylpyridine (CID 70977875) is 3-bromo-4-chloro-5-cyclopropylpyridine.
What is the SMILES notation for 3-bromo-4-chloro-5-cyclopropylpyridine?
The canonical SMILES for 3-bromo-4-chloro-5-cyclopropylpyridine is Clc1c(Br)cncc1C1CC1.
What is the InChIKey of 3-bromo-4-chloro-5-cyclopropylpyridine?
The InChIKey is AFWXADKRIRQPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClN/c9-7-4-11-3-6(8(7)10)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 3-bromo-4-chloro-5-cyclopropylpyridine?
3-bromo-4-chloro-5-cyclopropylpyridine has a molecular weight of 232.51 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-5-cyclopropylpyridine is sourced from PubChem (CID 70977875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).