[6-(4-bromophenyl)-2-methyl-3-pyridinyl]methanamine

C13H13BrN2 — CID 82452734

IUPAC[6-(4-bromophenyl)-2-methyl-3-pyridinyl]methanamine
SMILESCc1nc(-c2ccc(Br)cc2)ccc1CN
InChIInChI=1S/C13H13BrN2/c1-9-11(8-15)4-7-13(16-9)10-2-5-12(14)6-3-10/h2-7H,8,15H2,1H3
InChIKeyRRGJYPXBYYBDTR-UHFFFAOYSA-N
MW277.17 g/mol
LogP3.28
Rot. Bonds2

About [6-(4-bromophenyl)-2-methyl-3-pyridinyl]methanamine

[6-(4-bromophenyl)-2-methyl-3-pyridinyl]methanamine (PubChem CID 82452734) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is [6-(4-bromophenyl)-2-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(4-bromophenyl)-2-methyl-3-pyridinyl]methanamine
PubChem CID82452734
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC Name[6-(4-bromophenyl)-2-methyl-3-pyridinyl]methanamine
SMILESCc1nc(-c2ccc(Br)cc2)ccc1CN
InChIInChI=1S/C13H13BrN2/c1-9-11(8-15)4-7-13(16-9)10-2-5-12(14)6-3-10/h2-7H,8,15H2,1H3
InChIKeyRRGJYPXBYYBDTR-UHFFFAOYSA-N
XLogP3.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-(4-bromophenyl)-2-methyl-3-pyridinyl]methanamine?
The IUPAC name of [6-(4-bromophenyl)-2-methyl-3-pyridinyl]methanamine (CID 82452734) is [6-(4-bromophenyl)-2-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(4-bromophenyl)-2-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [6-(4-bromophenyl)-2-methyl-3-pyridinyl]methanamine is Cc1nc(-c2ccc(Br)cc2)ccc1CN.
What is the InChIKey of [6-(4-bromophenyl)-2-methyl-3-pyridinyl]methanamine?
The InChIKey is RRGJYPXBYYBDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c1-9-11(8-15)4-7-13(16-9)10-2-5-12(14)6-3-10/h2-7H,8,15H2,1H3.
What are the key properties of [6-(4-bromophenyl)-2-methyl-3-pyridinyl]methanamine?
[6-(4-bromophenyl)-2-methyl-3-pyridinyl]methanamine has a molecular weight of 277.17 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromophenyl)-2-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 82452734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).