3-(3,5-dibromo-4-pyridinyl)-N-methylprop-2-en-1-amine

C9H10Br2N2 — CID 169474904

IUPAC3-(3,5-dibromo-4-pyridinyl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1c(Br)cncc1Br
InChIInChI=1S/C9H10Br2N2/c1-12-4-2-3-7-8(10)5-13-6-9(7)11/h2-3,5-6,12H,4H2,1H3
InChIKeyJQDBDLLCBRCRNC-UHFFFAOYSA-N
MW306.00 g/mol
LogP2.84
Rot. Bonds3

About 3-(3,5-dibromo-4-pyridinyl)-N-methylprop-2-en-1-amine

3-(3,5-dibromo-4-pyridinyl)-N-methylprop-2-en-1-amine (PubChem CID 169474904) has the molecular formula C9H10Br2N2 and a molecular weight of 306.00 g/mol. Its IUPAC name is 3-(3,5-dibromo-4-pyridinyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(3,5-dibromo-4-pyridinyl)-N-methylprop-2-en-1-amine
PubChem CID169474904
Molecular FormulaC9H10Br2N2
Molecular Weight306.00 g/mol
Exact Mass303.92
IUPAC Name3-(3,5-dibromo-4-pyridinyl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1c(Br)cncc1Br
InChIInChI=1S/C9H10Br2N2/c1-12-4-2-3-7-8(10)5-13-6-9(7)11/h2-3,5-6,12H,4H2,1H3
InChIKeyJQDBDLLCBRCRNC-UHFFFAOYSA-N
XLogP2.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.00
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dibromo-4-pyridinyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 3-(3,5-dibromo-4-pyridinyl)-N-methylprop-2-en-1-amine (CID 169474904) is 3-(3,5-dibromo-4-pyridinyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(3,5-dibromo-4-pyridinyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 3-(3,5-dibromo-4-pyridinyl)-N-methylprop-2-en-1-amine is CNCC=Cc1c(Br)cncc1Br.
What is the InChIKey of 3-(3,5-dibromo-4-pyridinyl)-N-methylprop-2-en-1-amine?
The InChIKey is JQDBDLLCBRCRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2N2/c1-12-4-2-3-7-8(10)5-13-6-9(7)11/h2-3,5-6,12H,4H2,1H3.
What are the key properties of 3-(3,5-dibromo-4-pyridinyl)-N-methylprop-2-en-1-amine?
3-(3,5-dibromo-4-pyridinyl)-N-methylprop-2-en-1-amine has a molecular weight of 306.00 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dibromo-4-pyridinyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 169474904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).