5-bromo-2,2-dimethylpyridin-1-amine

C7H11BrN2 — CID 174411009

IUPAC5-bromo-2,2-dimethylpyridin-1-amine
SMILESCC1(C)C=CC(Br)=CN1N
InChIInChI=1S/C7H11BrN2/c1-7(2)4-3-6(8)5-10(7)9/h3-5H,9H2,1-2H3
InChIKeyPRQDSKJPDJROQJ-UHFFFAOYSA-N
MW203.08 g/mol
LogP1.75
Rot. Bonds

About 5-bromo-2,2-dimethylpyridin-1-amine

5-bromo-2,2-dimethylpyridin-1-amine (PubChem CID 174411009) has the molecular formula C7H11BrN2 and a molecular weight of 203.08 g/mol. Its IUPAC name is 5-bromo-2,2-dimethylpyridin-1-amine.

Molecular Properties

Compound Name5-bromo-2,2-dimethylpyridin-1-amine
PubChem CID174411009
Molecular FormulaC7H11BrN2
Molecular Weight203.08 g/mol
Exact Mass202.01
IUPAC Name5-bromo-2,2-dimethylpyridin-1-amine
SMILESCC1(C)C=CC(Br)=CN1N
InChIInChI=1S/C7H11BrN2/c1-7(2)4-3-6(8)5-10(7)9/h3-5H,9H2,1-2H3
InChIKeyPRQDSKJPDJROQJ-UHFFFAOYSA-N
XLogP1.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,2-dimethylpyridin-1-amine?
The IUPAC name of 5-bromo-2,2-dimethylpyridin-1-amine (CID 174411009) is 5-bromo-2,2-dimethylpyridin-1-amine.
What is the SMILES notation for 5-bromo-2,2-dimethylpyridin-1-amine?
The canonical SMILES for 5-bromo-2,2-dimethylpyridin-1-amine is CC1(C)C=CC(Br)=CN1N.
What is the InChIKey of 5-bromo-2,2-dimethylpyridin-1-amine?
The InChIKey is PRQDSKJPDJROQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2/c1-7(2)4-3-6(8)5-10(7)9/h3-5H,9H2,1-2H3.
What are the key properties of 5-bromo-2,2-dimethylpyridin-1-amine?
5-bromo-2,2-dimethylpyridin-1-amine has a molecular weight of 203.08 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,2-dimethylpyridin-1-amine is sourced from PubChem (CID 174411009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).