4-bromo-N-(pyridin-3-ylmethyl)aniline

C12H11BrN2 — CID 742774

IUPAC4-bromo-N-(pyridin-3-ylmethyl)aniline
SMILESBrc1ccc(NCc2cccnc2)cc1
InChIInChI=1S/C12H11BrN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-8,15H,9H2
InChIKeyILYQEKJJMMIQJS-UHFFFAOYSA-N
MW263.14 g/mol
LogP3.46
Rot. Bonds3

About 4-bromo-N-(pyridin-3-ylmethyl)aniline

4-bromo-N-(pyridin-3-ylmethyl)aniline (PubChem CID 742774) has the molecular formula C12H11BrN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is 4-bromo-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(pyridin-3-ylmethyl)aniline
PubChem CID742774
Molecular FormulaC12H11BrN2
Molecular Weight263.14 g/mol
Exact Mass262.01
IUPAC Name4-bromo-N-(pyridin-3-ylmethyl)aniline
SMILESBrc1ccc(NCc2cccnc2)cc1
InChIInChI=1S/C12H11BrN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-8,15H,9H2
InChIKeyILYQEKJJMMIQJS-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 4-bromo-N-(pyridin-3-ylmethyl)aniline (CID 742774) is 4-bromo-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 4-bromo-N-(pyridin-3-ylmethyl)aniline is Brc1ccc(NCc2cccnc2)cc1.
What is the InChIKey of 4-bromo-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is ILYQEKJJMMIQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-8,15H,9H2.
What are the key properties of 4-bromo-N-(pyridin-3-ylmethyl)aniline?
4-bromo-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 263.14 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 742774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).