3,5-dibromo-2-(2-methylpropyl)pyridin-4-amine

C9H12Br2N2 — CID 130114720

IUPAC3,5-dibromo-2-(2-methylpropyl)pyridin-4-amine
SMILESCC(C)Cc1ncc(Br)c(N)c1Br
InChIInChI=1S/C9H12Br2N2/c1-5(2)3-7-8(11)9(12)6(10)4-13-7/h4-5H,3H2,1-2H3,(H2,12,13)
InChIKeyRQUCDBJTDPNUOW-UHFFFAOYSA-N
MW308.02 g/mol
LogP3.39
Rot. Bonds2

About 3,5-dibromo-2-(2-methylpropyl)pyridin-4-amine

3,5-dibromo-2-(2-methylpropyl)pyridin-4-amine (PubChem CID 130114720) has the molecular formula C9H12Br2N2 and a molecular weight of 308.02 g/mol. Its IUPAC name is 3,5-dibromo-2-(2-methylpropyl)pyridin-4-amine.

Molecular Properties

Compound Name3,5-dibromo-2-(2-methylpropyl)pyridin-4-amine
PubChem CID130114720
Molecular FormulaC9H12Br2N2
Molecular Weight308.02 g/mol
Exact Mass305.94
IUPAC Name3,5-dibromo-2-(2-methylpropyl)pyridin-4-amine
SMILESCC(C)Cc1ncc(Br)c(N)c1Br
InChIInChI=1S/C9H12Br2N2/c1-5(2)3-7-8(11)9(12)6(10)4-13-7/h4-5H,3H2,1-2H3,(H2,12,13)
InChIKeyRQUCDBJTDPNUOW-UHFFFAOYSA-N
XLogP3.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.02
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-(2-methylpropyl)pyridin-4-amine?
The IUPAC name of 3,5-dibromo-2-(2-methylpropyl)pyridin-4-amine (CID 130114720) is 3,5-dibromo-2-(2-methylpropyl)pyridin-4-amine.
What is the SMILES notation for 3,5-dibromo-2-(2-methylpropyl)pyridin-4-amine?
The canonical SMILES for 3,5-dibromo-2-(2-methylpropyl)pyridin-4-amine is CC(C)Cc1ncc(Br)c(N)c1Br.
What is the InChIKey of 3,5-dibromo-2-(2-methylpropyl)pyridin-4-amine?
The InChIKey is RQUCDBJTDPNUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2N2/c1-5(2)3-7-8(11)9(12)6(10)4-13-7/h4-5H,3H2,1-2H3,(H2,12,13).
What are the key properties of 3,5-dibromo-2-(2-methylpropyl)pyridin-4-amine?
3,5-dibromo-2-(2-methylpropyl)pyridin-4-amine has a molecular weight of 308.02 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-(2-methylpropyl)pyridin-4-amine is sourced from PubChem (CID 130114720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).