3-bromo-6-chloro-5-ethyl-7H-cyclopenta[b]pyridine

C10H9BrClN — CID 162009542

IUPAC3-bromo-6-chloro-5-ethyl-7H-cyclopenta[b]pyridine
SMILESCCC1=C(Cl)Cc2ncc(Br)cc21
InChIInChI=1S/C10H9BrClN/c1-2-7-8-3-6(11)5-13-10(8)4-9(7)12/h3,5H,2,4H2,1H3
InChIKeyYTHCFVQAIGAZAX-UHFFFAOYSA-N
MW258.55 g/mol
LogP3.76
Rot. Bonds1

About 3-bromo-6-chloro-5-ethyl-7H-cyclopenta[b]pyridine

3-bromo-6-chloro-5-ethyl-7H-cyclopenta[b]pyridine (PubChem CID 162009542) has the molecular formula C10H9BrClN and a molecular weight of 258.55 g/mol. Its IUPAC name is 3-bromo-6-chloro-5-ethyl-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name3-bromo-6-chloro-5-ethyl-7H-cyclopenta[b]pyridine
PubChem CID162009542
Molecular FormulaC10H9BrClN
Molecular Weight258.55 g/mol
Exact Mass256.96
IUPAC Name3-bromo-6-chloro-5-ethyl-7H-cyclopenta[b]pyridine
SMILESCCC1=C(Cl)Cc2ncc(Br)cc21
InChIInChI=1S/C10H9BrClN/c1-2-7-8-3-6(11)5-13-10(8)4-9(7)12/h3,5H,2,4H2,1H3
InChIKeyYTHCFVQAIGAZAX-UHFFFAOYSA-N
XLogP3.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.55
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloro-5-ethyl-7H-cyclopenta[b]pyridine?
The IUPAC name of 3-bromo-6-chloro-5-ethyl-7H-cyclopenta[b]pyridine (CID 162009542) is 3-bromo-6-chloro-5-ethyl-7H-cyclopenta[b]pyridine.
What is the SMILES notation for 3-bromo-6-chloro-5-ethyl-7H-cyclopenta[b]pyridine?
The canonical SMILES for 3-bromo-6-chloro-5-ethyl-7H-cyclopenta[b]pyridine is CCC1=C(Cl)Cc2ncc(Br)cc21.
What is the InChIKey of 3-bromo-6-chloro-5-ethyl-7H-cyclopenta[b]pyridine?
The InChIKey is YTHCFVQAIGAZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN/c1-2-7-8-3-6(11)5-13-10(8)4-9(7)12/h3,5H,2,4H2,1H3.
What are the key properties of 3-bromo-6-chloro-5-ethyl-7H-cyclopenta[b]pyridine?
3-bromo-6-chloro-5-ethyl-7H-cyclopenta[b]pyridine has a molecular weight of 258.55 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-chloro-5-ethyl-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 162009542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).