3-bromo-5-chloro-N-(3-chloro-2-methylpropyl)pyridin-2-amine

C9H11BrCl2N2 — CID 114838511

IUPAC3-bromo-5-chloro-N-(3-chloro-2-methylpropyl)pyridin-2-amine
SMILESCC(CCl)CNc1ncc(Cl)cc1Br
InChIInChI=1S/C9H11BrCl2N2/c1-6(3-11)4-13-9-8(10)2-7(12)5-14-9/h2,5-6H,3-4H2,1H3,(H,13,14)
InChIKeySSOQAZLFQNZHDW-UHFFFAOYSA-N
MW298.01 g/mol
LogP3.78
Rot. Bonds4

About 3-bromo-5-chloro-N-(3-chloro-2-methylpropyl)pyridin-2-amine

3-bromo-5-chloro-N-(3-chloro-2-methylpropyl)pyridin-2-amine (PubChem CID 114838511) has the molecular formula C9H11BrCl2N2 and a molecular weight of 298.01 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(3-chloro-2-methylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(3-chloro-2-methylpropyl)pyridin-2-amine
PubChem CID114838511
Molecular FormulaC9H11BrCl2N2
Molecular Weight298.01 g/mol
Exact Mass295.95
IUPAC Name3-bromo-5-chloro-N-(3-chloro-2-methylpropyl)pyridin-2-amine
SMILESCC(CCl)CNc1ncc(Cl)cc1Br
InChIInChI=1S/C9H11BrCl2N2/c1-6(3-11)4-13-9-8(10)2-7(12)5-14-9/h2,5-6H,3-4H2,1H3,(H,13,14)
InChIKeySSOQAZLFQNZHDW-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.01
LogP ≤ 53.78
H-Bond Donors ≤ 51
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-(2-methylsulfanylpropyl)pyridin-2-amine
CID 114836097
3-bromo-5-chloro-N-(4-chloro-2-ethylbutyl)pyridin-2-amine
CID 114838530
3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
3-bromo-5-chloro-N-methylpyridin-2-amine
CID 51356623
3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 114838460
3-bromo-5-chloro-N-(1-chloro-4-methylpentan-2-yl)pyridin-2-amine
CID 114838487
N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
CID 114835533
3-bromo-5-chloro-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 114835656
2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol
CID 114835661
3-bromo-5-chloro-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine
CID 130965117
3-bromo-5-chloro-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329478
3-bromo-5-chloro-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 114835785

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(3-chloro-2-methylpropyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-(3-chloro-2-methylpropyl)pyridin-2-amine (CID 114838511) is 3-bromo-5-chloro-N-(3-chloro-2-methylpropyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-(3-chloro-2-methylpropyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-(3-chloro-2-methylpropyl)pyridin-2-amine is CC(CCl)CNc1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-N-(3-chloro-2-methylpropyl)pyridin-2-amine?
The InChIKey is SSOQAZLFQNZHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrCl2N2/c1-6(3-11)4-13-9-8(10)2-7(12)5-14-9/h2,5-6H,3-4H2,1H3,(H,13,14).
What are the key properties of 3-bromo-5-chloro-N-(3-chloro-2-methylpropyl)pyridin-2-amine?
3-bromo-5-chloro-N-(3-chloro-2-methylpropyl)pyridin-2-amine has a molecular weight of 298.01 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(3-chloro-2-methylpropyl)pyridin-2-amine is sourced from PubChem (CID 114838511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).