5-bromo-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-3-amine

C12H17BrN2O2 — CID 71871088

IUPAC5-bromo-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-3-amine
SMILESBrc1cncc(NCCOCC2CCCO2)c1
InChIInChI=1S/C12H17BrN2O2/c13-10-6-11(8-14-7-10)15-3-5-16-9-12-2-1-4-17-12/h6-8,12,15H,1-5,9H2
InChIKeyHNAMPGWWHXVMKU-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.45
Rot. Bonds6

About 5-bromo-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-3-amine

5-bromo-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-3-amine (PubChem CID 71871088) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 5-bromo-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-3-amine
PubChem CID71871088
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name5-bromo-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-3-amine
SMILESBrc1cncc(NCCOCC2CCCO2)c1
InChIInChI=1S/C12H17BrN2O2/c13-10-6-11(8-14-7-10)15-3-5-16-9-12-2-1-4-17-12/h6-8,12,15H,1-5,9H2
InChIKeyHNAMPGWWHXVMKU-UHFFFAOYSA-N
XLogP2.45
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-3-amine (CID 71871088) is 5-bromo-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-3-amine is Brc1cncc(NCCOCC2CCCO2)c1.
What is the InChIKey of 5-bromo-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-3-amine?
The InChIKey is HNAMPGWWHXVMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c13-10-6-11(8-14-7-10)15-3-5-16-9-12-2-1-4-17-12/h6-8,12,15H,1-5,9H2.
What are the key properties of 5-bromo-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-3-amine?
5-bromo-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-3-amine has a molecular weight of 301.18 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-3-amine is sourced from PubChem (CID 71871088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).