1-deuterio-4H-pyridine

C5H7N — CID 10057440

IUPAC1-deuterio-4H-pyridine
SMILES[2H]N1C=CCC=C1
InChIInChI=1S/C5H7N/c1-2-4-6-5-3-1/h2-6H,1H2/i/hD
InChIKeyYNGDWRXWKFWCJY-DYCDLGHISA-N
MW82.12 g/mol
LogP1.01
Rot. Bonds

About 1-deuterio-4H-pyridine

1-deuterio-4H-pyridine (PubChem CID 10057440) has the molecular formula C5H7N and a molecular weight of 82.12 g/mol. Its IUPAC name is 1-deuterio-4H-pyridine.

Molecular Properties

Compound Name1-deuterio-4H-pyridine
PubChem CID10057440
Molecular FormulaC5H7N
Molecular Weight82.12 g/mol
Exact Mass82.06
IUPAC Name1-deuterio-4H-pyridine
SMILES[2H]N1C=CCC=C1
InChIInChI=1S/C5H7N/c1-2-4-6-5-3-1/h2-6H,1H2/i/hD
InChIKeyYNGDWRXWKFWCJY-DYCDLGHISA-N
XLogP1.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.12
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-deuterio-4H-pyridine?
The IUPAC name of 1-deuterio-4H-pyridine (CID 10057440) is 1-deuterio-4H-pyridine.
What is the SMILES notation for 1-deuterio-4H-pyridine?
The canonical SMILES for 1-deuterio-4H-pyridine is [2H]N1C=CCC=C1.
What is the InChIKey of 1-deuterio-4H-pyridine?
The InChIKey is YNGDWRXWKFWCJY-DYCDLGHISA-N. The full InChI is InChI=1S/C5H7N/c1-2-4-6-5-3-1/h2-6H,1H2/i/hD.
What are the key properties of 1-deuterio-4H-pyridine?
1-deuterio-4H-pyridine has a molecular weight of 82.12 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-4H-pyridine is sourced from PubChem (CID 10057440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).