3-bromo-5-methyl-N-phenylpyridin-2-amine

C12H11BrN2 — CID 24826360

IUPAC3-bromo-5-methyl-N-phenylpyridin-2-amine
SMILESCc1cnc(Nc2ccccc2)c(Br)c1
InChIInChI=1S/C12H11BrN2/c1-9-7-11(13)12(14-8-9)15-10-5-3-2-4-6-10/h2-8H,1H3,(H,14,15)
InChIKeyHRFRQNSZKZNUAT-UHFFFAOYSA-N
MW263.14 g/mol
LogP3.90
Rot. Bonds2

About 3-bromo-5-methyl-N-phenylpyridin-2-amine

3-bromo-5-methyl-N-phenylpyridin-2-amine (PubChem CID 24826360) has the molecular formula C12H11BrN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-phenylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-methyl-N-phenylpyridin-2-amine
PubChem CID24826360
Molecular FormulaC12H11BrN2
Molecular Weight263.14 g/mol
Exact Mass262.01
IUPAC Name3-bromo-5-methyl-N-phenylpyridin-2-amine
SMILESCc1cnc(Nc2ccccc2)c(Br)c1
InChIInChI=1S/C12H11BrN2/c1-9-7-11(13)12(14-8-9)15-10-5-3-2-4-6-10/h2-8H,1H3,(H,14,15)
InChIKeyHRFRQNSZKZNUAT-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-phenylpyridin-2-amine?
The IUPAC name of 3-bromo-5-methyl-N-phenylpyridin-2-amine (CID 24826360) is 3-bromo-5-methyl-N-phenylpyridin-2-amine.
What is the SMILES notation for 3-bromo-5-methyl-N-phenylpyridin-2-amine?
The canonical SMILES for 3-bromo-5-methyl-N-phenylpyridin-2-amine is Cc1cnc(Nc2ccccc2)c(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-N-phenylpyridin-2-amine?
The InChIKey is HRFRQNSZKZNUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2/c1-9-7-11(13)12(14-8-9)15-10-5-3-2-4-6-10/h2-8H,1H3,(H,14,15).
What are the key properties of 3-bromo-5-methyl-N-phenylpyridin-2-amine?
3-bromo-5-methyl-N-phenylpyridin-2-amine has a molecular weight of 263.14 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-phenylpyridin-2-amine is sourced from PubChem (CID 24826360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).