1,1,1,1,2,2,3,3,3a-nonadeuterio-4H-thieno[2,3-c]pyridine

C7H13NS — CID 175778097

IUPAC1,1,1,1,2,2,3,3,3a-nonadeuterio-4H-thieno[2,3-c]pyridine
SMILES[2H]C12CC=NC=C1S([2H])([2H])([2H])([2H])C([2H])([2H])C2([2H])[2H]
InChIInChI=1S/C7H13NS/c1-3-8-5-7-6(1)2-4-9-7/h3,5-6H,1-2,4H2,9H4/i2D2,4D2,6D,9D4
InChIKeyUESFUJQIYYCGNA-CLYLKDRSSA-N
MW152.31 g/mol
LogP0.98
Rot. Bonds

About 1,1,1,1,2,2,3,3,3a-nonadeuterio-4H-thieno[2,3-c]pyridine

1,1,1,1,2,2,3,3,3a-nonadeuterio-4H-thieno[2,3-c]pyridine (PubChem CID 175778097) has the molecular formula C7H13NS and a molecular weight of 152.31 g/mol. Its IUPAC name is 1,1,1,1,2,2,3,3,3a-nonadeuterio-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name1,1,1,1,2,2,3,3,3a-nonadeuterio-4H-thieno[2,3-c]pyridine
PubChem CID175778097
Molecular FormulaC7H13NS
Molecular Weight152.31 g/mol
Exact Mass152.13
IUPAC Name1,1,1,1,2,2,3,3,3a-nonadeuterio-4H-thieno[2,3-c]pyridine
SMILES[2H]C12CC=NC=C1S([2H])([2H])([2H])([2H])C([2H])([2H])C2([2H])[2H]
InChIInChI=1S/C7H13NS/c1-3-8-5-7-6(1)2-4-9-7/h3,5-6H,1-2,4H2,9H4/i2D2,4D2,6D,9D4
InChIKeyUESFUJQIYYCGNA-CLYLKDRSSA-N
XLogP0.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.31
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,1,2,2,3,3,3a-nonadeuterio-4H-thieno[2,3-c]pyridine?
The IUPAC name of 1,1,1,1,2,2,3,3,3a-nonadeuterio-4H-thieno[2,3-c]pyridine (CID 175778097) is 1,1,1,1,2,2,3,3,3a-nonadeuterio-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for 1,1,1,1,2,2,3,3,3a-nonadeuterio-4H-thieno[2,3-c]pyridine?
The canonical SMILES for 1,1,1,1,2,2,3,3,3a-nonadeuterio-4H-thieno[2,3-c]pyridine is [2H]C12CC=NC=C1S([2H])([2H])([2H])([2H])C([2H])([2H])C2([2H])[2H].
What is the InChIKey of 1,1,1,1,2,2,3,3,3a-nonadeuterio-4H-thieno[2,3-c]pyridine?
The InChIKey is UESFUJQIYYCGNA-CLYLKDRSSA-N. The full InChI is InChI=1S/C7H13NS/c1-3-8-5-7-6(1)2-4-9-7/h3,5-6H,1-2,4H2,9H4/i2D2,4D2,6D,9D4.
What are the key properties of 1,1,1,1,2,2,3,3,3a-nonadeuterio-4H-thieno[2,3-c]pyridine?
1,1,1,1,2,2,3,3,3a-nonadeuterio-4H-thieno[2,3-c]pyridine has a molecular weight of 152.31 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,1,2,2,3,3,3a-nonadeuterio-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 175778097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).