5-bromo-4-ethenyl-N-methylpyridin-3-amine

C8H9BrN2 — CID 177178712

IUPAC5-bromo-4-ethenyl-N-methylpyridin-3-amine
SMILESC=Cc1c(Br)cncc1NC
InChIInChI=1S/C8H9BrN2/c1-3-6-7(9)4-11-5-8(6)10-2/h3-5,10H,1H2,2H3
InChIKeyFVNUTYCBPMEUCV-UHFFFAOYSA-N
MW213.08 g/mol
LogP2.53
Rot. Bonds2

About 5-bromo-4-ethenyl-N-methylpyridin-3-amine

5-bromo-4-ethenyl-N-methylpyridin-3-amine (PubChem CID 177178712) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is 5-bromo-4-ethenyl-N-methylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-ethenyl-N-methylpyridin-3-amine
PubChem CID177178712
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name5-bromo-4-ethenyl-N-methylpyridin-3-amine
SMILESC=Cc1c(Br)cncc1NC
InChIInChI=1S/C8H9BrN2/c1-3-6-7(9)4-11-5-8(6)10-2/h3-5,10H,1H2,2H3
InChIKeyFVNUTYCBPMEUCV-UHFFFAOYSA-N
XLogP2.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-ethenyl-N-methylpyridin-3-amine?
The IUPAC name of 5-bromo-4-ethenyl-N-methylpyridin-3-amine (CID 177178712) is 5-bromo-4-ethenyl-N-methylpyridin-3-amine.
What is the SMILES notation for 5-bromo-4-ethenyl-N-methylpyridin-3-amine?
The canonical SMILES for 5-bromo-4-ethenyl-N-methylpyridin-3-amine is C=Cc1c(Br)cncc1NC.
What is the InChIKey of 5-bromo-4-ethenyl-N-methylpyridin-3-amine?
The InChIKey is FVNUTYCBPMEUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2/c1-3-6-7(9)4-11-5-8(6)10-2/h3-5,10H,1H2,2H3.
What are the key properties of 5-bromo-4-ethenyl-N-methylpyridin-3-amine?
5-bromo-4-ethenyl-N-methylpyridin-3-amine has a molecular weight of 213.08 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-ethenyl-N-methylpyridin-3-amine is sourced from PubChem (CID 177178712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).