3-bromo-3-methyl-2H-pyridin-2-amine

C6H9BrN2 — CID 67392929

IUPAC3-bromo-3-methyl-2H-pyridin-2-amine
SMILESCC1(Br)C=CC=NC1N
InChIInChI=1S/C6H9BrN2/c1-6(7)3-2-4-9-5(6)8/h2-5H,8H2,1H3
InChIKeyZNDMXOUNLCAKOH-UHFFFAOYSA-N
MW189.06 g/mol
LogP1.07
Rot. Bonds

About 3-bromo-3-methyl-2H-pyridin-2-amine

3-bromo-3-methyl-2H-pyridin-2-amine (PubChem CID 67392929) has the molecular formula C6H9BrN2 and a molecular weight of 189.06 g/mol. Its IUPAC name is 3-bromo-3-methyl-2H-pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-3-methyl-2H-pyridin-2-amine
PubChem CID67392929
Molecular FormulaC6H9BrN2
Molecular Weight189.06 g/mol
Exact Mass187.99
IUPAC Name3-bromo-3-methyl-2H-pyridin-2-amine
SMILESCC1(Br)C=CC=NC1N
InChIInChI=1S/C6H9BrN2/c1-6(7)3-2-4-9-5(6)8/h2-5H,8H2,1H3
InChIKeyZNDMXOUNLCAKOH-UHFFFAOYSA-N
XLogP1.07
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 51.07
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-bromo-3-methyl-2H-pyridin-2-amine?
The IUPAC name of 3-bromo-3-methyl-2H-pyridin-2-amine (CID 67392929) is 3-bromo-3-methyl-2H-pyridin-2-amine.
What is the SMILES notation for 3-bromo-3-methyl-2H-pyridin-2-amine?
The canonical SMILES for 3-bromo-3-methyl-2H-pyridin-2-amine is CC1(Br)C=CC=NC1N.
What is the InChIKey of 3-bromo-3-methyl-2H-pyridin-2-amine?
The InChIKey is ZNDMXOUNLCAKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2/c1-6(7)3-2-4-9-5(6)8/h2-5H,8H2,1H3.
What are the key properties of 3-bromo-3-methyl-2H-pyridin-2-amine?
3-bromo-3-methyl-2H-pyridin-2-amine has a molecular weight of 189.06 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-3-methyl-2H-pyridin-2-amine is sourced from PubChem (CID 67392929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).