3-bromopyridin-4-amine;prop-1-ene

C8H11BrN2 — CID 67817443

IUPAC3-bromopyridin-4-amine;prop-1-ene
SMILESC=CC.Nc1ccncc1Br
InChIInChI=1S/C5H5BrN2.C3H6/c6-4-3-8-2-1-5(4)7;1-3-2/h1-3H,(H2,7,8);3H,1H2,2H3
InChIKeyITGLMNJBGWRTNJ-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.62
Rot. Bonds

About 3-bromopyridin-4-amine;prop-1-ene

3-bromopyridin-4-amine;prop-1-ene (PubChem CID 67817443) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 3-bromopyridin-4-amine;prop-1-ene.

Molecular Properties

Compound Name3-bromopyridin-4-amine;prop-1-ene
PubChem CID67817443
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name3-bromopyridin-4-amine;prop-1-ene
SMILESC=CC.Nc1ccncc1Br
InChIInChI=1S/C5H5BrN2.C3H6/c6-4-3-8-2-1-5(4)7;1-3-2/h1-3H,(H2,7,8);3H,1H2,2H3
InChIKeyITGLMNJBGWRTNJ-UHFFFAOYSA-N
XLogP2.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromopyridin-4-amine;prop-1-ene?
The IUPAC name of 3-bromopyridin-4-amine;prop-1-ene (CID 67817443) is 3-bromopyridin-4-amine;prop-1-ene.
What is the SMILES notation for 3-bromopyridin-4-amine;prop-1-ene?
The canonical SMILES for 3-bromopyridin-4-amine;prop-1-ene is C=CC.Nc1ccncc1Br.
What is the InChIKey of 3-bromopyridin-4-amine;prop-1-ene?
The InChIKey is ITGLMNJBGWRTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2.C3H6/c6-4-3-8-2-1-5(4)7;1-3-2/h1-3H,(H2,7,8);3H,1H2,2H3.
What are the key properties of 3-bromopyridin-4-amine;prop-1-ene?
3-bromopyridin-4-amine;prop-1-ene has a molecular weight of 215.09 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopyridin-4-amine;prop-1-ene is sourced from PubChem (CID 67817443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).