3-(bromomethyl)-5-phenylpyridin-4-amine

C12H11BrN2 — CID 131436682

IUPAC3-(bromomethyl)-5-phenylpyridin-4-amine
SMILESNc1c(CBr)cncc1-c1ccccc1
InChIInChI=1S/C12H11BrN2/c13-6-10-7-15-8-11(12(10)14)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,14,15)
InChIKeyOKQLXNUAJDLQMT-UHFFFAOYSA-N
MW263.14 g/mol
LogP3.23
Rot. Bonds2

About 3-(bromomethyl)-5-phenylpyridin-4-amine

3-(bromomethyl)-5-phenylpyridin-4-amine (PubChem CID 131436682) has the molecular formula C12H11BrN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is 3-(bromomethyl)-5-phenylpyridin-4-amine.

Molecular Properties

Compound Name3-(bromomethyl)-5-phenylpyridin-4-amine
PubChem CID131436682
Molecular FormulaC12H11BrN2
Molecular Weight263.14 g/mol
Exact Mass262.01
IUPAC Name3-(bromomethyl)-5-phenylpyridin-4-amine
SMILESNc1c(CBr)cncc1-c1ccccc1
InChIInChI=1S/C12H11BrN2/c13-6-10-7-15-8-11(12(10)14)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,14,15)
InChIKeyOKQLXNUAJDLQMT-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

4-(bromomethyl)-3-phenylpyridine
CID 118822650
3-(bromomethyl)-4-phenyl-5-(trifluoromethyl)pyridine
CID 133098043
3,5-dipyridin-4-ylpyridin-4-amine
CID 46315281
5-(bromomethyl)-2-phenylpyrimidin-4-amine
CID 91165932
2-(bromomethyl)-6-phenylbenzenesulfonamide
CID 19783178
1-(bromomethyl)-2,3,4-triphenylbenzene;phosphane
CID 87586907
3-bromo-4-methyl-5-phenylpyridine
CID 90710455
2,6,11,15-tetraphenyl-4,13,19,20-tetrazatricyclo[14.2.1.17,10]icosa-1(18),2,4,6,8,10,12,14,16-nonaene
CID 58300561
3-(bromomethyl)pyridin-4-amine
CID 18674607
3-(chloromethyl)-4-phenylpyridine
CID 130967396
2-(bromomethyl)-4-fluoro-1-phenylbenzene
CID 59789301
2,3-bis(bromomethyl)-6,8-diphenylbenzo[7]annulen-7-one
CID 71676426

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5-phenylpyridin-4-amine?
The IUPAC name of 3-(bromomethyl)-5-phenylpyridin-4-amine (CID 131436682) is 3-(bromomethyl)-5-phenylpyridin-4-amine.
What is the SMILES notation for 3-(bromomethyl)-5-phenylpyridin-4-amine?
The canonical SMILES for 3-(bromomethyl)-5-phenylpyridin-4-amine is Nc1c(CBr)cncc1-c1ccccc1.
What is the InChIKey of 3-(bromomethyl)-5-phenylpyridin-4-amine?
The InChIKey is OKQLXNUAJDLQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2/c13-6-10-7-15-8-11(12(10)14)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,14,15).
What are the key properties of 3-(bromomethyl)-5-phenylpyridin-4-amine?
3-(bromomethyl)-5-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 3-(bromomethyl)-5-phenylpyridin-4-amine is sourced from PubChem (CID 131436682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).