3-bromo-N-(1-bromopropan-2-yl)-5-chloro-N-methylpyridin-2-amine

C9H11Br2ClN2 — CID 114838597

IUPAC3-bromo-N-(1-bromopropan-2-yl)-5-chloro-N-methylpyridin-2-amine
SMILESCC(CBr)N(C)c1ncc(Cl)cc1Br
InChIInChI=1S/C9H11Br2ClN2/c1-6(4-10)14(2)9-8(11)3-7(12)5-13-9/h3,5-6H,4H2,1-2H3
InChIKeyXGDQKRQPIFTOTL-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.72
Rot. Bonds3

About 3-bromo-N-(1-bromopropan-2-yl)-5-chloro-N-methylpyridin-2-amine

3-bromo-N-(1-bromopropan-2-yl)-5-chloro-N-methylpyridin-2-amine (PubChem CID 114838597) has the molecular formula C9H11Br2ClN2 and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-bromo-N-(1-bromopropan-2-yl)-5-chloro-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(1-bromopropan-2-yl)-5-chloro-N-methylpyridin-2-amine
PubChem CID114838597
Molecular FormulaC9H11Br2ClN2
Molecular Weight342.46 g/mol
Exact Mass339.90
IUPAC Name3-bromo-N-(1-bromopropan-2-yl)-5-chloro-N-methylpyridin-2-amine
SMILESCC(CBr)N(C)c1ncc(Cl)cc1Br
InChIInChI=1S/C9H11Br2ClN2/c1-6(4-10)14(2)9-8(11)3-7(12)5-13-9/h3,5-6H,4H2,1-2H3
InChIKeyXGDQKRQPIFTOTL-UHFFFAOYSA-N
XLogP3.72
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 114836921
N-(1-bromopropan-2-yl)-5-chloro-3-fluoro-N-methylpyridin-2-amine
CID 104555270
3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine
CID 114836698
3-bromo-5-chloro-N-(3-chlorobutyl)-N-methylpyridin-2-amine
CID 114838625
N'-(3-bromo-5-chloro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 114835445
3-bromo-5-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 114837418
N-butan-2-yl-5-chloro-3-fluoro-N-methylpyridin-2-amine
CID 79728281
5-bromo-N-(1-bromopropan-2-yl)-N,4-dimethylpyridin-2-amine
CID 114870004
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 114838298
3-bromo-N,5-dimethyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 105367831
3-[(3-bromo-5-chloro-2-pyridinyl)-propan-2-ylamino]propanenitrile
CID 114835463
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylethane-1,2-diamine
CID 114838664

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-bromopropan-2-yl)-5-chloro-N-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(1-bromopropan-2-yl)-5-chloro-N-methylpyridin-2-amine (CID 114838597) is 3-bromo-N-(1-bromopropan-2-yl)-5-chloro-N-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(1-bromopropan-2-yl)-5-chloro-N-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(1-bromopropan-2-yl)-5-chloro-N-methylpyridin-2-amine is CC(CBr)N(C)c1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-N-(1-bromopropan-2-yl)-5-chloro-N-methylpyridin-2-amine?
The InChIKey is XGDQKRQPIFTOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2ClN2/c1-6(4-10)14(2)9-8(11)3-7(12)5-13-9/h3,5-6H,4H2,1-2H3.
What are the key properties of 3-bromo-N-(1-bromopropan-2-yl)-5-chloro-N-methylpyridin-2-amine?
3-bromo-N-(1-bromopropan-2-yl)-5-chloro-N-methylpyridin-2-amine has a molecular weight of 342.46 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-bromopropan-2-yl)-5-chloro-N-methylpyridin-2-amine is sourced from PubChem (CID 114838597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).