6-bromo-N,N,3-trimethylpyridin-2-amine

C8H11BrN2 — CID 119085692

IUPAC6-bromo-N,N,3-trimethylpyridin-2-amine
SMILESCc1ccc(Br)nc1N(C)C
InChIInChI=1S/C8H11BrN2/c1-6-4-5-7(9)10-8(6)11(2)3/h4-5H,1-3H3
InChIKeyWFGYVLONLJTYHK-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.22
Rot. Bonds1

About 6-bromo-N,N,3-trimethylpyridin-2-amine

6-bromo-N,N,3-trimethylpyridin-2-amine (PubChem CID 119085692) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 6-bromo-N,N,3-trimethylpyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N,N,3-trimethylpyridin-2-amine
PubChem CID119085692
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name6-bromo-N,N,3-trimethylpyridin-2-amine
SMILESCc1ccc(Br)nc1N(C)C
InChIInChI=1S/C8H11BrN2/c1-6-4-5-7(9)10-8(6)11(2)3/h4-5H,1-3H3
InChIKeyWFGYVLONLJTYHK-UHFFFAOYSA-N
XLogP2.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,N,3-trimethylpyridin-2-amine?
The IUPAC name of 6-bromo-N,N,3-trimethylpyridin-2-amine (CID 119085692) is 6-bromo-N,N,3-trimethylpyridin-2-amine.
What is the SMILES notation for 6-bromo-N,N,3-trimethylpyridin-2-amine?
The canonical SMILES for 6-bromo-N,N,3-trimethylpyridin-2-amine is Cc1ccc(Br)nc1N(C)C.
What is the InChIKey of 6-bromo-N,N,3-trimethylpyridin-2-amine?
The InChIKey is WFGYVLONLJTYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-6-4-5-7(9)10-8(6)11(2)3/h4-5H,1-3H3.
What are the key properties of 6-bromo-N,N,3-trimethylpyridin-2-amine?
6-bromo-N,N,3-trimethylpyridin-2-amine has a molecular weight of 215.09 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,N,3-trimethylpyridin-2-amine is sourced from PubChem (CID 119085692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).