[5-(4-bromophenyl)-3-pyridinyl]methanamine

C12H11BrN2 — CID 22074992

IUPAC[5-(4-bromophenyl)-3-pyridinyl]methanamine
SMILESNCc1cncc(-c2ccc(Br)cc2)c1
InChIInChI=1S/C12H11BrN2/c13-12-3-1-10(2-4-12)11-5-9(6-14)7-15-8-11/h1-5,7-8H,6,14H2
InChIKeyYOZKXXXQQVEACM-UHFFFAOYSA-N
MW263.14 g/mol
LogP2.97
Rot. Bonds2

About [5-(4-bromophenyl)-3-pyridinyl]methanamine

[5-(4-bromophenyl)-3-pyridinyl]methanamine (PubChem CID 22074992) has the molecular formula C12H11BrN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is [5-(4-bromophenyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(4-bromophenyl)-3-pyridinyl]methanamine
PubChem CID22074992
Molecular FormulaC12H11BrN2
Molecular Weight263.14 g/mol
Exact Mass262.01
IUPAC Name[5-(4-bromophenyl)-3-pyridinyl]methanamine
SMILESNCc1cncc(-c2ccc(Br)cc2)c1
InChIInChI=1S/C12H11BrN2/c13-12-3-1-10(2-4-12)11-5-9(6-14)7-15-8-11/h1-5,7-8H,6,14H2
InChIKeyYOZKXXXQQVEACM-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)-3-pyridinyl]methanamine?
The IUPAC name of [5-(4-bromophenyl)-3-pyridinyl]methanamine (CID 22074992) is [5-(4-bromophenyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-(4-bromophenyl)-3-pyridinyl]methanamine?
The canonical SMILES for [5-(4-bromophenyl)-3-pyridinyl]methanamine is NCc1cncc(-c2ccc(Br)cc2)c1.
What is the InChIKey of [5-(4-bromophenyl)-3-pyridinyl]methanamine?
The InChIKey is YOZKXXXQQVEACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2/c13-12-3-1-10(2-4-12)11-5-9(6-14)7-15-8-11/h1-5,7-8H,6,14H2.
What are the key properties of [5-(4-bromophenyl)-3-pyridinyl]methanamine?
[5-(4-bromophenyl)-3-pyridinyl]methanamine has a molecular weight of 263.14 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromophenyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 22074992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).