2-(bromomethyl)-6-phenylpyridin-4-amine

C12H11BrN2 — CID 131464961

IUPAC2-(bromomethyl)-6-phenylpyridin-4-amine
SMILESNc1cc(CBr)nc(-c2ccccc2)c1
InChIInChI=1S/C12H11BrN2/c13-8-11-6-10(14)7-12(15-11)9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15)
InChIKeyIAKJPIOMSGLLDL-UHFFFAOYSA-N
MW263.14 g/mol
LogP3.23
Rot. Bonds2

About 2-(bromomethyl)-6-phenylpyridin-4-amine

2-(bromomethyl)-6-phenylpyridin-4-amine (PubChem CID 131464961) has the molecular formula C12H11BrN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is 2-(bromomethyl)-6-phenylpyridin-4-amine.

Molecular Properties

Compound Name2-(bromomethyl)-6-phenylpyridin-4-amine
PubChem CID131464961
Molecular FormulaC12H11BrN2
Molecular Weight263.14 g/mol
Exact Mass262.01
IUPAC Name2-(bromomethyl)-6-phenylpyridin-4-amine
SMILESNc1cc(CBr)nc(-c2ccccc2)c1
InChIInChI=1S/C12H11BrN2/c13-8-11-6-10(14)7-12(15-11)9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15)
InChIKeyIAKJPIOMSGLLDL-UHFFFAOYSA-N
XLogP3.23
TPSA38.91 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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-6-propan-2-ylpyridin-4-amine
CID 155682169
4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline
CID 630837
4-(4,6-diphenylpyrimidin-2-yl)aniline
CID 629613
2-(bromomethyl)-6-chloro-4-phenylpyridine
CID 131589786
(2-phenylquinolin-4-yl)methanamine;hydrochloride
CID 82025622
6-phenylpyridazin-4-amine
CID 13068495
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
CID 59428704
4-bromo-2,6-diphenylpyrimidine;ethane
CID 142370256
2-but-3-enyl-4,6-diphenylpyridine
CID 138981640
3-(bromomethyl)-5-phenyl-1,2-thiazole
CID 166103637
4-(bromomethyl)-2-phenyl-1,3-oxazole
CID 53421463
2-phenylquinolin-4-amine;hydrochloride
CID 134690731

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-phenylpyridin-4-amine?
The IUPAC name of 2-(bromomethyl)-6-phenylpyridin-4-amine (CID 131464961) is 2-(bromomethyl)-6-phenylpyridin-4-amine.
What is the SMILES notation for 2-(bromomethyl)-6-phenylpyridin-4-amine?
The canonical SMILES for 2-(bromomethyl)-6-phenylpyridin-4-amine is Nc1cc(CBr)nc(-c2ccccc2)c1.
What is the InChIKey of 2-(bromomethyl)-6-phenylpyridin-4-amine?
The InChIKey is IAKJPIOMSGLLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2/c13-8-11-6-10(14)7-12(15-11)9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15).
What are the key properties of 2-(bromomethyl)-6-phenylpyridin-4-amine?
2-(bromomethyl)-6-phenylpyridin-4-amine has a molecular weight of 263.14 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-phenylpyridin-4-amine is sourced from PubChem (CID 131464961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).