[4-(2-bromophenyl)-2-pyridinyl]methanamine

C12H11BrN2 — CID 82379970

IUPAC[4-(2-bromophenyl)-2-pyridinyl]methanamine
SMILESNCc1cc(-c2ccccc2Br)ccn1
InChIInChI=1S/C12H11BrN2/c13-12-4-2-1-3-11(12)9-5-6-15-10(7-9)8-14/h1-7H,8,14H2
InChIKeyYKPSVKJLVCZPNV-UHFFFAOYSA-N
MW263.14 g/mol
LogP2.97
Rot. Bonds2

About [4-(2-bromophenyl)-2-pyridinyl]methanamine

[4-(2-bromophenyl)-2-pyridinyl]methanamine (PubChem CID 82379970) has the molecular formula C12H11BrN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is [4-(2-bromophenyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(2-bromophenyl)-2-pyridinyl]methanamine
PubChem CID82379970
Molecular FormulaC12H11BrN2
Molecular Weight263.14 g/mol
Exact Mass262.01
IUPAC Name[4-(2-bromophenyl)-2-pyridinyl]methanamine
SMILESNCc1cc(-c2ccccc2Br)ccn1
InChIInChI=1S/C12H11BrN2/c13-12-4-2-1-3-11(12)9-5-6-15-10(7-9)8-14/h1-7H,8,14H2
InChIKeyYKPSVKJLVCZPNV-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 [4-(2-bromophenyl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(2-bromophenyl)-2-pyridinyl]methanamine (CID 82379970) is [4-(2-bromophenyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(2-bromophenyl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(2-bromophenyl)-2-pyridinyl]methanamine is NCc1cc(-c2ccccc2Br)ccn1.
What is the InChIKey of [4-(2-bromophenyl)-2-pyridinyl]methanamine?
The InChIKey is YKPSVKJLVCZPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2/c13-12-4-2-1-3-11(12)9-5-6-15-10(7-9)8-14/h1-7H,8,14H2.
What are the key properties of [4-(2-bromophenyl)-2-pyridinyl]methanamine?
[4-(2-bromophenyl)-2-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 [4-(2-bromophenyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 82379970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).