4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylphenyl)pyridine

C18H16N2 — CID 153412508

IUPAC4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylphenyl)pyridine
SMILES[2H]C([2H])([2H])C([2H])([2H])c1ccnc(-c2cccc(-c3ccccn3)c2)c1
InChIInChI=1S/C18H16N2/c1-2-14-9-11-20-18(12-14)16-7-5-6-15(13-16)17-8-3-4-10-19-17/h3-13H,2H2,1H3/i1D3,2D2
InChIKeyCLHMKOKXQDDLKP-ZBJDZAJPSA-N
MW265.37 g/mol
LogP4.37
Rot. Bonds4

About 4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylphenyl)pyridine

4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylphenyl)pyridine (PubChem CID 153412508) has the molecular formula C18H16N2 and a molecular weight of 265.37 g/mol. Its IUPAC name is 4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylphenyl)pyridine.

Molecular Properties

Compound Name4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylphenyl)pyridine
PubChem CID153412508
Molecular FormulaC18H16N2
Molecular Weight265.37 g/mol
Exact Mass265.16
IUPAC Name4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylphenyl)pyridine
SMILES[2H]C([2H])([2H])C([2H])([2H])c1ccnc(-c2cccc(-c3ccccn3)c2)c1
InChIInChI=1S/C18H16N2/c1-2-14-9-11-20-18(12-14)16-7-5-6-15(13-16)17-8-3-4-10-19-17/h3-13H,2H2,1H3/i1D3,2D2
InChIKeyCLHMKOKXQDDLKP-ZBJDZAJPSA-N
XLogP4.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866
2-[3-(4-ethylphenyl)phenyl]pyridine
CID 151780746
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
N,N-dimethyl-1-(3-pyridin-2-ylphenyl)methanamine
CID 91152039
3,5-dimethyl-1H-pyrazole;2-(3-pyridin-2-ylphenyl)pyridine
CID 159490451
2-[3-(3-butylphenyl)phenyl]pyridine
CID 58401104
4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 118651859
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
4-(3-pyridin-2-ylphenyl)pyrimidine
CID 172541875
trimethyl-(3-pyridin-2-ylphenyl)silane
CID 140721406
2-(3-pyridin-2-ylphenyl)ethanamine
CID 39226476

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylphenyl)pyridine?
The IUPAC name of 4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylphenyl)pyridine (CID 153412508) is 4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylphenyl)pyridine.
What is the SMILES notation for 4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylphenyl)pyridine?
The canonical SMILES for 4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylphenyl)pyridine is [2H]C([2H])([2H])C([2H])([2H])c1ccnc(-c2cccc(-c3ccccn3)c2)c1.
What is the InChIKey of 4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylphenyl)pyridine?
The InChIKey is CLHMKOKXQDDLKP-ZBJDZAJPSA-N. The full InChI is InChI=1S/C18H16N2/c1-2-14-9-11-20-18(12-14)16-7-5-6-15(13-16)17-8-3-4-10-19-17/h3-13H,2H2,1H3/i1D3,2D2.
What are the key properties of 4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylphenyl)pyridine?
4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylphenyl)pyridine has a molecular weight of 265.37 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylphenyl)pyridine is sourced from PubChem (CID 153412508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).