3-[1-(5-ethyl-2-pyridinyl)-2-hydroxypropan-2-yl]benzonitrile

C17H18N2O — CID 115481461

IUPAC3-[1-(5-ethyl-2-pyridinyl)-2-hydroxypropan-2-yl]benzonitrile
SMILESCCc1ccc(CC(C)(O)c2cccc(C#N)c2)nc1
InChIInChI=1S/C17H18N2O/c1-3-13-7-8-16(19-12-13)10-17(2,20)15-6-4-5-14(9-15)11-18/h4-9,12,20H,3,10H2,1-2H3
InChIKeyNXRMYIYTQAXDRN-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.97
Rot. Bonds4

About 3-[1-(5-ethyl-2-pyridinyl)-2-hydroxypropan-2-yl]benzonitrile

3-[1-(5-ethyl-2-pyridinyl)-2-hydroxypropan-2-yl]benzonitrile (PubChem CID 115481461) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[1-(5-ethyl-2-pyridinyl)-2-hydroxypropan-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[1-(5-ethyl-2-pyridinyl)-2-hydroxypropan-2-yl]benzonitrile
PubChem CID115481461
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-[1-(5-ethyl-2-pyridinyl)-2-hydroxypropan-2-yl]benzonitrile
SMILESCCc1ccc(CC(C)(O)c2cccc(C#N)c2)nc1
InChIInChI=1S/C17H18N2O/c1-3-13-7-8-16(19-12-13)10-17(2,20)15-6-4-5-14(9-15)11-18/h4-9,12,20H,3,10H2,1-2H3
InChIKeyNXRMYIYTQAXDRN-UHFFFAOYSA-N
XLogP2.97
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)-1-(5-ethyl-2-pyridinyl)propan-2-ol
CID 79739586
2-(3,4-dimethylphenyl)-1-(5-ethyl-2-pyridinyl)propan-2-ol
CID 79740203
1-(5-ethyl-2-pyridinyl)-2-(4-methylphenyl)propan-2-ol
CID 79740506
3-[1-(4-bromophenyl)-2-hydroxypropan-2-yl]benzonitrile
CID 115481262
3-[1-(3,4-difluorophenyl)-2-hydroxypropan-2-yl]benzonitrile
CID 82920764
3-[1-(5-ethylthiophen-2-yl)-2-hydroxypropan-2-yl]benzonitrile
CID 115481395
3-[1-(3,5-difluorophenyl)-2-hydroxypropan-2-yl]benzonitrile
CID 105402704
3-[2-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]benzonitrile
CID 113318919
1-(5-ethyl-2-pyridinyl)-2-(furan-3-yl)propan-2-ol
CID 113315423
3-[1-(2,3-dihydro-1H-inden-5-yl)-2-hydroxypropan-2-yl]benzonitrile
CID 115481286
1-(5-ethyl-2-pyridinyl)-2-(3-fluorophenyl)butan-2-ol
CID 114872587
3-[1-(2-ethyl-1,2,4-triazol-3-yl)-2-hydroxypropan-2-yl]benzonitrile
CID 115481288

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-ethyl-2-pyridinyl)-2-hydroxypropan-2-yl]benzonitrile?
The IUPAC name of 3-[1-(5-ethyl-2-pyridinyl)-2-hydroxypropan-2-yl]benzonitrile (CID 115481461) is 3-[1-(5-ethyl-2-pyridinyl)-2-hydroxypropan-2-yl]benzonitrile.
What is the SMILES notation for 3-[1-(5-ethyl-2-pyridinyl)-2-hydroxypropan-2-yl]benzonitrile?
The canonical SMILES for 3-[1-(5-ethyl-2-pyridinyl)-2-hydroxypropan-2-yl]benzonitrile is CCc1ccc(CC(C)(O)c2cccc(C#N)c2)nc1.
What is the InChIKey of 3-[1-(5-ethyl-2-pyridinyl)-2-hydroxypropan-2-yl]benzonitrile?
The InChIKey is NXRMYIYTQAXDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-3-13-7-8-16(19-12-13)10-17(2,20)15-6-4-5-14(9-15)11-18/h4-9,12,20H,3,10H2,1-2H3.
What are the key properties of 3-[1-(5-ethyl-2-pyridinyl)-2-hydroxypropan-2-yl]benzonitrile?
3-[1-(5-ethyl-2-pyridinyl)-2-hydroxypropan-2-yl]benzonitrile has a molecular weight of 266.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-ethyl-2-pyridinyl)-2-hydroxypropan-2-yl]benzonitrile is sourced from PubChem (CID 115481461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).