ethyl 2-[6-(tritylamino)-2-pyridinyl]acetate

C28H26N2O2 — CID 19857128

IUPACethyl 2-[6-(tritylamino)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C28H26N2O2/c1-2-32-27(31)21-25-19-12-20-26(29-25)30-28(22-13-6-3-7-14-22,23-15-8-4-9-16-23)24-17-10-5-11-18-24/h3-20H,2,21H2,1H3,(H,29,30)
InChIKeyFSVQKDCRTOUDHD-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.59
Rot. Bonds8

About ethyl 2-[6-(tritylamino)-2-pyridinyl]acetate

ethyl 2-[6-(tritylamino)-2-pyridinyl]acetate (PubChem CID 19857128) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is ethyl 2-[6-(tritylamino)-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(tritylamino)-2-pyridinyl]acetate
PubChem CID19857128
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC Nameethyl 2-[6-(tritylamino)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C28H26N2O2/c1-2-32-27(31)21-25-19-12-20-26(29-25)30-28(22-13-6-3-7-14-22,23-15-8-4-9-16-23)24-17-10-5-11-18-24/h3-20H,2,21H2,1H3,(H,29,30)
InChIKeyFSVQKDCRTOUDHD-UHFFFAOYSA-N
XLogP5.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 ethyl 2-[6-(tritylamino)-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[6-(tritylamino)-2-pyridinyl]acetate (CID 19857128) is ethyl 2-[6-(tritylamino)-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[6-(tritylamino)-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[6-(tritylamino)-2-pyridinyl]acetate is CCOC(=O)Cc1cccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of ethyl 2-[6-(tritylamino)-2-pyridinyl]acetate?
The InChIKey is FSVQKDCRTOUDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O2/c1-2-32-27(31)21-25-19-12-20-26(29-25)30-28(22-13-6-3-7-14-22,23-15-8-4-9-16-23)24-17-10-5-11-18-24/h3-20H,2,21H2,1H3,(H,29,30).
What are the key properties of ethyl 2-[6-(tritylamino)-2-pyridinyl]acetate?
ethyl 2-[6-(tritylamino)-2-pyridinyl]acetate has a molecular weight of 422.53 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(tritylamino)-2-pyridinyl]acetate is sourced from PubChem (CID 19857128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).