6-bromo-N-tert-butylpyridin-2-amine

C9H13BrN2 — CID 22180784

IUPAC6-bromo-N-tert-butylpyridin-2-amine
SMILESCC(C)(C)Nc1cccc(Br)n1
InChIInChI=1S/C9H13BrN2/c1-9(2,3)12-8-6-4-5-7(10)11-8/h4-6H,1-3H3,(H,11,12)
InChIKeyRIWYYWNCQWHCQU-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.05
Rot. Bonds1

About 6-bromo-N-tert-butylpyridin-2-amine

6-bromo-N-tert-butylpyridin-2-amine (PubChem CID 22180784) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is 6-bromo-N-tert-butylpyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-tert-butylpyridin-2-amine
PubChem CID22180784
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name6-bromo-N-tert-butylpyridin-2-amine
SMILESCC(C)(C)Nc1cccc(Br)n1
InChIInChI=1S/C9H13BrN2/c1-9(2,3)12-8-6-4-5-7(10)11-8/h4-6H,1-3H3,(H,11,12)
InChIKeyRIWYYWNCQWHCQU-UHFFFAOYSA-N
XLogP3.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-Amino-6-bromopyridine
CID 300809
2-Pyridinamine, 5-bromo-6-methyl-
CID 170678
2-Amino-3-bromo-6-methylpyridine
CID 2734416
5-Bromo-4,6-dimethylpyridin-2-amine
CID 11030855
2-Bromo-6-hydrazinopyridine
CID 19392588
2-N,6-N-dimethylpyridine-2,6-diamine
CID 11194367
4-Bromo-2,6-diaminopyridine
CID 11435393
5-Bromo-N-methylpyridin-2-amine
CID 15645663
6-Bromo-N,N-diethylpyridin-2-amine
CID 18696589
N2,N2-dimethylpyridine-2,6-diamine
CID 22287845
2-Bromo-6-isocyanopyridine
CID 46398143
5-Bromo-6-fluoropyridin-2-amine
CID 53418436

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-tert-butylpyridin-2-amine?
The IUPAC name of 6-bromo-N-tert-butylpyridin-2-amine (CID 22180784) is 6-bromo-N-tert-butylpyridin-2-amine.
What is the SMILES notation for 6-bromo-N-tert-butylpyridin-2-amine?
The canonical SMILES for 6-bromo-N-tert-butylpyridin-2-amine is CC(C)(C)Nc1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-tert-butylpyridin-2-amine?
The InChIKey is RIWYYWNCQWHCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-9(2,3)12-8-6-4-5-7(10)11-8/h4-6H,1-3H3,(H,11,12).
What are the key properties of 6-bromo-N-tert-butylpyridin-2-amine?
6-bromo-N-tert-butylpyridin-2-amine has a molecular weight of 229.12 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-tert-butylpyridin-2-amine is sourced from PubChem (CID 22180784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).