5-bromo-6-methyl-N-tritylpyridin-2-amine

C25H21BrN2 — CID 66968422

IUPAC5-bromo-6-methyl-N-tritylpyridin-2-amine
SMILESCc1nc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1Br
InChIInChI=1S/C25H21BrN2/c1-19-23(26)17-18-24(27-19)28-25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3,(H,27,28)
InChIKeyRAPLPYZCJICNLF-UHFFFAOYSA-N
MW429.36 g/mol
LogP6.56
Rot. Bonds5

About 5-bromo-6-methyl-N-tritylpyridin-2-amine

5-bromo-6-methyl-N-tritylpyridin-2-amine (PubChem CID 66968422) has the molecular formula C25H21BrN2 and a molecular weight of 429.36 g/mol. Its IUPAC name is 5-bromo-6-methyl-N-tritylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-N-tritylpyridin-2-amine
PubChem CID66968422
Molecular FormulaC25H21BrN2
Molecular Weight429.36 g/mol
Exact Mass428.09
IUPAC Name5-bromo-6-methyl-N-tritylpyridin-2-amine
SMILESCc1nc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1Br
InChIInChI=1S/C25H21BrN2/c1-19-23(26)17-18-24(27-19)28-25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3,(H,27,28)
InChIKeyRAPLPYZCJICNLF-UHFFFAOYSA-N
XLogP6.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.36
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-N-tritylpyridin-2-amine?
The IUPAC name of 5-bromo-6-methyl-N-tritylpyridin-2-amine (CID 66968422) is 5-bromo-6-methyl-N-tritylpyridin-2-amine.
What is the SMILES notation for 5-bromo-6-methyl-N-tritylpyridin-2-amine?
The canonical SMILES for 5-bromo-6-methyl-N-tritylpyridin-2-amine is Cc1nc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1Br.
What is the InChIKey of 5-bromo-6-methyl-N-tritylpyridin-2-amine?
The InChIKey is RAPLPYZCJICNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN2/c1-19-23(26)17-18-24(27-19)28-25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3,(H,27,28).
What are the key properties of 5-bromo-6-methyl-N-tritylpyridin-2-amine?
5-bromo-6-methyl-N-tritylpyridin-2-amine has a molecular weight of 429.36 g/mol, XLogP of 6.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-N-tritylpyridin-2-amine is sourced from PubChem (CID 66968422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).