5-bromo-2-methoxy-N,N-dimethylpyridin-3-amine

C8H11BrN2O — CID 170994844

IUPAC5-bromo-2-methoxy-N,N-dimethylpyridin-3-amine
SMILESCOc1ncc(Br)cc1N(C)C
InChIInChI=1S/C8H11BrN2O/c1-11(2)7-4-6(9)5-10-8(7)12-3/h4-5H,1-3H3
InChIKeyHBLUVNWNSARBPE-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.92
Rot. Bonds2

About 5-bromo-2-methoxy-N,N-dimethylpyridin-3-amine

5-bromo-2-methoxy-N,N-dimethylpyridin-3-amine (PubChem CID 170994844) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N,N-dimethylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-methoxy-N,N-dimethylpyridin-3-amine
PubChem CID170994844
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name5-bromo-2-methoxy-N,N-dimethylpyridin-3-amine
SMILESCOc1ncc(Br)cc1N(C)C
InChIInChI=1S/C8H11BrN2O/c1-11(2)7-4-6(9)5-10-8(7)12-3/h4-5H,1-3H3
InChIKeyHBLUVNWNSARBPE-UHFFFAOYSA-N
XLogP1.92
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N,N-dimethylpyridin-3-amine?
The IUPAC name of 5-bromo-2-methoxy-N,N-dimethylpyridin-3-amine (CID 170994844) is 5-bromo-2-methoxy-N,N-dimethylpyridin-3-amine.
What is the SMILES notation for 5-bromo-2-methoxy-N,N-dimethylpyridin-3-amine?
The canonical SMILES for 5-bromo-2-methoxy-N,N-dimethylpyridin-3-amine is COc1ncc(Br)cc1N(C)C.
What is the InChIKey of 5-bromo-2-methoxy-N,N-dimethylpyridin-3-amine?
The InChIKey is HBLUVNWNSARBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-11(2)7-4-6(9)5-10-8(7)12-3/h4-5H,1-3H3.
What are the key properties of 5-bromo-2-methoxy-N,N-dimethylpyridin-3-amine?
5-bromo-2-methoxy-N,N-dimethylpyridin-3-amine has a molecular weight of 231.09 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N,N-dimethylpyridin-3-amine is sourced from PubChem (CID 170994844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).