5-bromo-N-(3-methoxypropyl)pyridin-2-amine

C9H13BrN2O — CID 43153315

IUPAC5-bromo-N-(3-methoxypropyl)pyridin-2-amine
SMILESCOCCCNc1ccc(Br)cn1
InChIInChI=1S/C9H13BrN2O/c1-13-6-2-5-11-9-4-3-8(10)7-12-9/h3-4,7H,2,5-6H2,1H3,(H,11,12)
InChIKeyHHNYDNCKLGPDQJ-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.29
Rot. Bonds5

About 5-bromo-N-(3-methoxypropyl)pyridin-2-amine

5-bromo-N-(3-methoxypropyl)pyridin-2-amine (PubChem CID 43153315) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 5-bromo-N-(3-methoxypropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-methoxypropyl)pyridin-2-amine
PubChem CID43153315
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name5-bromo-N-(3-methoxypropyl)pyridin-2-amine
SMILESCOCCCNc1ccc(Br)cn1
InChIInChI=1S/C9H13BrN2O/c1-13-6-2-5-11-9-4-3-8(10)7-12-9/h3-4,7H,2,5-6H2,1H3,(H,11,12)
InChIKeyHHNYDNCKLGPDQJ-UHFFFAOYSA-N
XLogP2.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methoxypropyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(3-methoxypropyl)pyridin-2-amine (CID 43153315) is 5-bromo-N-(3-methoxypropyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(3-methoxypropyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(3-methoxypropyl)pyridin-2-amine is COCCCNc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(3-methoxypropyl)pyridin-2-amine?
The InChIKey is HHNYDNCKLGPDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-13-6-2-5-11-9-4-3-8(10)7-12-9/h3-4,7H,2,5-6H2,1H3,(H,11,12).
What are the key properties of 5-bromo-N-(3-methoxypropyl)pyridin-2-amine?
5-bromo-N-(3-methoxypropyl)pyridin-2-amine has a molecular weight of 245.12 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methoxypropyl)pyridin-2-amine is sourced from PubChem (CID 43153315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).