2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

C8H9BrN2 — CID 155890963

IUPAC2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESNC1CCc2ccc(Br)nc21
InChIInChI=1S/C8H9BrN2/c9-7-4-2-5-1-3-6(10)8(5)11-7/h2,4,6H,1,3,10H2
InChIKeyIMHIFVXFBFRFFH-UHFFFAOYSA-N
MW213.08 g/mol
LogP1.79
Rot. Bonds

About 2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (PubChem CID 155890963) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is 2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.

Molecular Properties

Compound Name2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
PubChem CID155890963
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESNC1CCc2ccc(Br)nc21
InChIInChI=1S/C8H9BrN2/c9-7-4-2-5-1-3-6(10)8(5)11-7/h2,4,6H,1,3,10H2
InChIKeyIMHIFVXFBFRFFH-UHFFFAOYSA-N
XLogP1.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The IUPAC name of 2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (CID 155890963) is 2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.
What is the SMILES notation for 2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The canonical SMILES for 2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is NC1CCc2ccc(Br)nc21.
What is the InChIKey of 2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The InChIKey is IMHIFVXFBFRFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2/c9-7-4-2-5-1-3-6(10)8(5)11-7/h2,4,6H,1,3,10H2.
What are the key properties of 2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine has a molecular weight of 213.08 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is sourced from PubChem (CID 155890963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).