3,5-dibromo-N-(1-chloro-4,4-dimethylpentan-3-yl)pyridin-2-amine

C12H17Br2ClN2 — CID 106354418

IUPAC3,5-dibromo-N-(1-chloro-4,4-dimethylpentan-3-yl)pyridin-2-amine
SMILESCC(C)(C)C(CCCl)Nc1ncc(Br)cc1Br
InChIInChI=1S/C12H17Br2ClN2/c1-12(2,3)10(4-5-15)17-11-9(14)6-8(13)7-16-11/h6-7,10H,4-5H2,1-3H3,(H,16,17)
InChIKeyZLHKZXUJXHRIFG-UHFFFAOYSA-N
MW384.54 g/mol
LogP5.06
Rot. Bonds4

About 3,5-dibromo-N-(1-chloro-4,4-dimethylpentan-3-yl)pyridin-2-amine

3,5-dibromo-N-(1-chloro-4,4-dimethylpentan-3-yl)pyridin-2-amine (PubChem CID 106354418) has the molecular formula C12H17Br2ClN2 and a molecular weight of 384.54 g/mol. Its IUPAC name is 3,5-dibromo-N-(1-chloro-4,4-dimethylpentan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-(1-chloro-4,4-dimethylpentan-3-yl)pyridin-2-amine
PubChem CID106354418
Molecular FormulaC12H17Br2ClN2
Molecular Weight384.54 g/mol
Exact Mass381.94
IUPAC Name3,5-dibromo-N-(1-chloro-4,4-dimethylpentan-3-yl)pyridin-2-amine
SMILESCC(C)(C)C(CCCl)Nc1ncc(Br)cc1Br
InChIInChI=1S/C12H17Br2ClN2/c1-12(2,3)10(4-5-15)17-11-9(14)6-8(13)7-16-11/h6-7,10H,4-5H2,1-3H3,(H,16,17)
InChIKeyZLHKZXUJXHRIFG-UHFFFAOYSA-N
XLogP5.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.54
LogP ≤ 55.06
H-Bond Donors ≤ 51
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 3,5-dibromo-N-(1-chloro-4,4-dimethylpentan-3-yl)pyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-(1-chloro-4,4-dimethylpentan-3-yl)pyridin-2-amine (CID 106354418) is 3,5-dibromo-N-(1-chloro-4,4-dimethylpentan-3-yl)pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-(1-chloro-4,4-dimethylpentan-3-yl)pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-(1-chloro-4,4-dimethylpentan-3-yl)pyridin-2-amine is CC(C)(C)C(CCCl)Nc1ncc(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-N-(1-chloro-4,4-dimethylpentan-3-yl)pyridin-2-amine?
The InChIKey is ZLHKZXUJXHRIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2ClN2/c1-12(2,3)10(4-5-15)17-11-9(14)6-8(13)7-16-11/h6-7,10H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 3,5-dibromo-N-(1-chloro-4,4-dimethylpentan-3-yl)pyridin-2-amine?
3,5-dibromo-N-(1-chloro-4,4-dimethylpentan-3-yl)pyridin-2-amine has a molecular weight of 384.54 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(1-chloro-4,4-dimethylpentan-3-yl)pyridin-2-amine is sourced from PubChem (CID 106354418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).