5-bromo-3-chloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine

C13H12BrClN2O — CID 103583292

IUPAC5-bromo-3-chloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
SMILESCOc1ccc(N(C)c2ncc(Br)cc2Cl)cc1
InChIInChI=1S/C13H12BrClN2O/c1-17(10-3-5-11(18-2)6-4-10)13-12(15)7-9(14)8-16-13/h3-8H,1-2H3
InChIKeyDZKIMFOXHCBENG-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.27
Rot. Bonds3

About 5-bromo-3-chloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine

5-bromo-3-chloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine (PubChem CID 103583292) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
PubChem CID103583292
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name5-bromo-3-chloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
SMILESCOc1ccc(N(C)c2ncc(Br)cc2Cl)cc1
InChIInChI=1S/C13H12BrClN2O/c1-17(10-3-5-11(18-2)6-4-10)13-12(15)7-9(14)8-16-13/h3-8H,1-2H3
InChIKeyDZKIMFOXHCBENG-UHFFFAOYSA-N
XLogP4.27
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine (CID 103583292) is 5-bromo-3-chloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine is COc1ccc(N(C)c2ncc(Br)cc2Cl)cc1.
What is the InChIKey of 5-bromo-3-chloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine?
The InChIKey is DZKIMFOXHCBENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c1-17(10-3-5-11(18-2)6-4-10)13-12(15)7-9(14)8-16-13/h3-8H,1-2H3.
What are the key properties of 5-bromo-3-chloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine?
5-bromo-3-chloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine has a molecular weight of 327.61 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 103583292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).