2-deuterio-2-(1,1-dideuterioethoxy)-1H-pyridine

C7H11NO — CID 175939370

IUPAC2-deuterio-2-(1,1-dideuterioethoxy)-1H-pyridine
SMILES[2H]C([2H])(C)OC1([2H])C=CC=CN1
InChIInChI=1S/C7H11NO/c1-2-9-7-5-3-4-6-8-7/h3-8H,2H2,1H3/i2D2,7D
InChIKeyTVVDBYVYDRYPMY-DJJFBTHOSA-N
MW128.19 g/mol
LogP1.02
Rot. Bonds2

About 2-deuterio-2-(1,1-dideuterioethoxy)-1H-pyridine

2-deuterio-2-(1,1-dideuterioethoxy)-1H-pyridine (PubChem CID 175939370) has the molecular formula C7H11NO and a molecular weight of 128.19 g/mol. Its IUPAC name is 2-deuterio-2-(1,1-dideuterioethoxy)-1H-pyridine.

Molecular Properties

Compound Name2-deuterio-2-(1,1-dideuterioethoxy)-1H-pyridine
PubChem CID175939370
Molecular FormulaC7H11NO
Molecular Weight128.19 g/mol
Exact Mass128.10
IUPAC Name2-deuterio-2-(1,1-dideuterioethoxy)-1H-pyridine
SMILES[2H]C([2H])(C)OC1([2H])C=CC=CN1
InChIInChI=1S/C7H11NO/c1-2-9-7-5-3-4-6-8-7/h3-8H,2H2,1H3/i2D2,7D
InChIKeyTVVDBYVYDRYPMY-DJJFBTHOSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-2-(1,1-dideuterioethoxy)-1H-pyridine?
The IUPAC name of 2-deuterio-2-(1,1-dideuterioethoxy)-1H-pyridine (CID 175939370) is 2-deuterio-2-(1,1-dideuterioethoxy)-1H-pyridine.
What is the SMILES notation for 2-deuterio-2-(1,1-dideuterioethoxy)-1H-pyridine?
The canonical SMILES for 2-deuterio-2-(1,1-dideuterioethoxy)-1H-pyridine is [2H]C([2H])(C)OC1([2H])C=CC=CN1.
What is the InChIKey of 2-deuterio-2-(1,1-dideuterioethoxy)-1H-pyridine?
The InChIKey is TVVDBYVYDRYPMY-DJJFBTHOSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-9-7-5-3-4-6-8-7/h3-8H,2H2,1H3/i2D2,7D.
What are the key properties of 2-deuterio-2-(1,1-dideuterioethoxy)-1H-pyridine?
2-deuterio-2-(1,1-dideuterioethoxy)-1H-pyridine has a molecular weight of 128.19 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-2-(1,1-dideuterioethoxy)-1H-pyridine is sourced from PubChem (CID 175939370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).