5-deuteriopyridine-2-carbonitrile

C6H4N2 — CID 175824386

IUPAC5-deuteriopyridine-2-carbonitrile
SMILES[2H]c1ccc(C#N)nc1
InChIInChI=1S/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H/i2D
InChIKeyFFNVQNRYTPFDDP-VMNATFBRSA-N
MW105.12 g/mol
LogP0.95
Rot. Bonds

About 5-deuteriopyridine-2-carbonitrile

5-deuteriopyridine-2-carbonitrile (PubChem CID 175824386) has the molecular formula C6H4N2 and a molecular weight of 105.12 g/mol. Its IUPAC name is 5-deuteriopyridine-2-carbonitrile.

Molecular Properties

Compound Name5-deuteriopyridine-2-carbonitrile
PubChem CID175824386
Molecular FormulaC6H4N2
Molecular Weight105.12 g/mol
Exact Mass105.04
IUPAC Name5-deuteriopyridine-2-carbonitrile
SMILES[2H]c1ccc(C#N)nc1
InChIInChI=1S/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H/i2D
InChIKeyFFNVQNRYTPFDDP-VMNATFBRSA-N
XLogP0.95
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.12
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

pyridine-2-carbonitrile;zinc
CID 161067493
ethane;pyridine-2-carbonitrile
CID 90851694
sodium;methanolate;pyridine-2-carbonitrile
CID 174929880
dicopper;bis(pyridine-2-carbonitrile);tetraacetate
CID 139086400
pyridine-2-carbonitrile;pyridine-3-carbonitrile
CID 23214769
5-pyrazol-1-ylpyridine-2-carbonitrile
CID 115487796
4-methanidylpyridine-2-carbonitrile;yttrium
CID 169217720
4-(2-phenoxyethoxy)pyridine-2-carbonitrile
CID 62937276
2-ethynylpyridine;hydrate
CID 141238736
CID 172928663
CID 172928663
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
ethane;5-methanidylpyridine-2-carbonitrile;yttrium
CID 169217341

Frequently Asked Questions

What is the IUPAC name of 5-deuteriopyridine-2-carbonitrile?
The IUPAC name of 5-deuteriopyridine-2-carbonitrile (CID 175824386) is 5-deuteriopyridine-2-carbonitrile.
What is the SMILES notation for 5-deuteriopyridine-2-carbonitrile?
The canonical SMILES for 5-deuteriopyridine-2-carbonitrile is [2H]c1ccc(C#N)nc1.
What is the InChIKey of 5-deuteriopyridine-2-carbonitrile?
The InChIKey is FFNVQNRYTPFDDP-VMNATFBRSA-N. The full InChI is InChI=1S/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H/i2D.
What are the key properties of 5-deuteriopyridine-2-carbonitrile?
5-deuteriopyridine-2-carbonitrile has a molecular weight of 105.12 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuteriopyridine-2-carbonitrile is sourced from PubChem (CID 175824386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).