N-(2-bromopropyl)-3,5-dichloro-N-methylpyridin-2-amine

C9H11BrCl2N2 — CID 80671164

IUPACN-(2-bromopropyl)-3,5-dichloro-N-methylpyridin-2-amine
SMILESCC(Br)CN(C)c1ncc(Cl)cc1Cl
InChIInChI=1S/C9H11BrCl2N2/c1-6(10)5-14(2)9-8(12)3-7(11)4-13-9/h3-4,6H,5H2,1-2H3
InChIKeyYOXBZQIFUJUIMD-UHFFFAOYSA-N
MW298.01 g/mol
LogP3.61
Rot. Bonds3

About N-(2-bromopropyl)-3,5-dichloro-N-methylpyridin-2-amine

N-(2-bromopropyl)-3,5-dichloro-N-methylpyridin-2-amine (PubChem CID 80671164) has the molecular formula C9H11BrCl2N2 and a molecular weight of 298.01 g/mol. Its IUPAC name is N-(2-bromopropyl)-3,5-dichloro-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromopropyl)-3,5-dichloro-N-methylpyridin-2-amine
PubChem CID80671164
Molecular FormulaC9H11BrCl2N2
Molecular Weight298.01 g/mol
Exact Mass295.95
IUPAC NameN-(2-bromopropyl)-3,5-dichloro-N-methylpyridin-2-amine
SMILESCC(Br)CN(C)c1ncc(Cl)cc1Cl
InChIInChI=1S/C9H11BrCl2N2/c1-6(10)5-14(2)9-8(12)3-7(11)4-13-9/h3-4,6H,5H2,1-2H3
InChIKeyYOXBZQIFUJUIMD-UHFFFAOYSA-N
XLogP3.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.01
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-3,5-dichloro-N-methylpyridin-2-amine?
The IUPAC name of N-(2-bromopropyl)-3,5-dichloro-N-methylpyridin-2-amine (CID 80671164) is N-(2-bromopropyl)-3,5-dichloro-N-methylpyridin-2-amine.
What is the SMILES notation for N-(2-bromopropyl)-3,5-dichloro-N-methylpyridin-2-amine?
The canonical SMILES for N-(2-bromopropyl)-3,5-dichloro-N-methylpyridin-2-amine is CC(Br)CN(C)c1ncc(Cl)cc1Cl.
What is the InChIKey of N-(2-bromopropyl)-3,5-dichloro-N-methylpyridin-2-amine?
The InChIKey is YOXBZQIFUJUIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrCl2N2/c1-6(10)5-14(2)9-8(12)3-7(11)4-13-9/h3-4,6H,5H2,1-2H3.
What are the key properties of N-(2-bromopropyl)-3,5-dichloro-N-methylpyridin-2-amine?
N-(2-bromopropyl)-3,5-dichloro-N-methylpyridin-2-amine has a molecular weight of 298.01 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-3,5-dichloro-N-methylpyridin-2-amine is sourced from PubChem (CID 80671164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).