5-bromo-2-chloro-N,N,4-trimethylpyridin-3-amine

C8H10BrClN2 — CID 118238019

IUPAC5-bromo-2-chloro-N,N,4-trimethylpyridin-3-amine
SMILESCc1c(Br)cnc(Cl)c1N(C)C
InChIInChI=1S/C8H10BrClN2/c1-5-6(9)4-11-8(10)7(5)12(2)3/h4H,1-3H3
InChIKeyOFNFMYJGOVNOJM-UHFFFAOYSA-N
MW249.54 g/mol
LogP2.87
Rot. Bonds1

About 5-bromo-2-chloro-N,N,4-trimethylpyridin-3-amine

5-bromo-2-chloro-N,N,4-trimethylpyridin-3-amine (PubChem CID 118238019) has the molecular formula C8H10BrClN2 and a molecular weight of 249.54 g/mol. Its IUPAC name is 5-bromo-2-chloro-N,N,4-trimethylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N,N,4-trimethylpyridin-3-amine
PubChem CID118238019
Molecular FormulaC8H10BrClN2
Molecular Weight249.54 g/mol
Exact Mass247.97
IUPAC Name5-bromo-2-chloro-N,N,4-trimethylpyridin-3-amine
SMILESCc1c(Br)cnc(Cl)c1N(C)C
InChIInChI=1S/C8H10BrClN2/c1-5-6(9)4-11-8(10)7(5)12(2)3/h4H,1-3H3
InChIKeyOFNFMYJGOVNOJM-UHFFFAOYSA-N
XLogP2.87
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.54
LogP ≤ 52.87
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 5-bromo-2-chloro-N,N,4-trimethylpyridin-3-amine?
The IUPAC name of 5-bromo-2-chloro-N,N,4-trimethylpyridin-3-amine (CID 118238019) is 5-bromo-2-chloro-N,N,4-trimethylpyridin-3-amine.
What is the SMILES notation for 5-bromo-2-chloro-N,N,4-trimethylpyridin-3-amine?
The canonical SMILES for 5-bromo-2-chloro-N,N,4-trimethylpyridin-3-amine is Cc1c(Br)cnc(Cl)c1N(C)C.
What is the InChIKey of 5-bromo-2-chloro-N,N,4-trimethylpyridin-3-amine?
The InChIKey is OFNFMYJGOVNOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrClN2/c1-5-6(9)4-11-8(10)7(5)12(2)3/h4H,1-3H3.
What are the key properties of 5-bromo-2-chloro-N,N,4-trimethylpyridin-3-amine?
5-bromo-2-chloro-N,N,4-trimethylpyridin-3-amine has a molecular weight of 249.54 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N,N,4-trimethylpyridin-3-amine is sourced from PubChem (CID 118238019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).