3,5-dibromo-N-(2-chloro-4-methylpentyl)pyridin-2-amine

C11H15Br2ClN2 — CID 107156387

IUPAC3,5-dibromo-N-(2-chloro-4-methylpentyl)pyridin-2-amine
SMILESCC(C)CC(Cl)CNc1ncc(Br)cc1Br
InChIInChI=1S/C11H15Br2ClN2/c1-7(2)3-9(14)6-16-11-10(13)4-8(12)5-15-11/h4-5,7,9H,3,6H2,1-2H3,(H,15,16)
InChIKeyNHIQWSZUFPDONN-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.67
Rot. Bonds5

About 3,5-dibromo-N-(2-chloro-4-methylpentyl)pyridin-2-amine

3,5-dibromo-N-(2-chloro-4-methylpentyl)pyridin-2-amine (PubChem CID 107156387) has the molecular formula C11H15Br2ClN2 and a molecular weight of 370.52 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-chloro-4-methylpentyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-(2-chloro-4-methylpentyl)pyridin-2-amine
PubChem CID107156387
Molecular FormulaC11H15Br2ClN2
Molecular Weight370.52 g/mol
Exact Mass367.93
IUPAC Name3,5-dibromo-N-(2-chloro-4-methylpentyl)pyridin-2-amine
SMILESCC(C)CC(Cl)CNc1ncc(Br)cc1Br
InChIInChI=1S/C11H15Br2ClN2/c1-7(2)3-9(14)6-16-11-10(13)4-8(12)5-15-11/h4-5,7,9H,3,6H2,1-2H3,(H,15,16)
InChIKeyNHIQWSZUFPDONN-UHFFFAOYSA-N
XLogP4.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5-dibromo-N-(2-chloro-4-methylpentyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(3,5-dibromo-2-pyridinyl)-4-methylpentane-1,2-diamine
CID 107159277
3,5-dibromo-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104762434
5-chloro-N-(2-chloro-4-methylpentyl)pyrimidin-4-amine
CID 107156317
3,5-dibromo-N-(3,3-dimethylbutan-2-yl)pyridin-2-amine
CID 104828759
1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol
CID 107153440
3-bromo-5-chloro-N-(3-chloro-2-methylpropyl)pyridin-2-amine
CID 114838511
3,5-dibromo-N-(5-chloro-2,2-dimethylpentyl)pyridin-2-amine
CID 106141963
3-bromo-5-chloro-N-(2-methylsulfanylpropyl)pyridin-2-amine
CID 114836097
3,5-dibromo-N-(1-chloro-4,4-dimethylpentan-3-yl)pyridin-2-amine
CID 106354418
3-bromo-5-chloro-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 114835656
1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 130505489
3-bromo-N-(2-chloro-2-cyclopropylethyl)-5-methylpyridin-2-amine
CID 105368724

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-chloro-4-methylpentyl)pyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-(2-chloro-4-methylpentyl)pyridin-2-amine (CID 107156387) is 3,5-dibromo-N-(2-chloro-4-methylpentyl)pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-(2-chloro-4-methylpentyl)pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-(2-chloro-4-methylpentyl)pyridin-2-amine is CC(C)CC(Cl)CNc1ncc(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-N-(2-chloro-4-methylpentyl)pyridin-2-amine?
The InChIKey is NHIQWSZUFPDONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2ClN2/c1-7(2)3-9(14)6-16-11-10(13)4-8(12)5-15-11/h4-5,7,9H,3,6H2,1-2H3,(H,15,16).
What are the key properties of 3,5-dibromo-N-(2-chloro-4-methylpentyl)pyridin-2-amine?
3,5-dibromo-N-(2-chloro-4-methylpentyl)pyridin-2-amine has a molecular weight of 370.52 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2-chloro-4-methylpentyl)pyridin-2-amine is sourced from PubChem (CID 107156387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).