(2S)-1-pyridin-4-ylpropan-2-ol

C8H11NO — CID 94470889

IUPAC(2S)-1-pyridin-4-ylpropan-2-ol
SMILESC[C@H](O)Cc1ccncc1
InChIInChI=1S/C8H11NO/c1-7(10)6-8-2-4-9-5-3-8/h2-5,7,10H,6H2,1H3/t7-/m0/s1
InChIKeyOIHJQFZKIPFYOD-ZETCQYMHSA-N
MW137.18 g/mol
LogP1.00
Rot. Bonds2

About (2S)-1-pyridin-4-ylpropan-2-ol

(2S)-1-pyridin-4-ylpropan-2-ol (PubChem CID 94470889) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (2S)-1-pyridin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-pyridin-4-ylpropan-2-ol
PubChem CID94470889
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(2S)-1-pyridin-4-ylpropan-2-ol
SMILESC[C@H](O)Cc1ccncc1
InChIInChI=1S/C8H11NO/c1-7(10)6-8-2-4-9-5-3-8/h2-5,7,10H,6H2,1H3/t7-/m0/s1
InChIKeyOIHJQFZKIPFYOD-ZETCQYMHSA-N
XLogP1.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol
CID 113323114
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888
(3R)-3-methyl-4-pyridin-4-ylbutan-2-one
CID 130031436
3-methyl-1-pyridin-4-ylbutane-2,3-diol
CID 103448896
(2S)-2-methyl-3-pyridin-4-ylpropan-1-amine
CID 42079600
1-pyridin-4-ylbutane-2,3-diamine
CID 91386861
(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol
CID 964925
sodium;hydride;1-phenylpropan-2-ol
CID 175039142
1-(4-methyl-3-pyridinyl)-2-pyridin-4-ylethanol
CID 66273541
3-propyl-1-pyridin-4-ylhexan-2-ol
CID 82995140
(2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol
CID 96823406
2-hydroxy-3-pyridin-4-ylpropanethial
CID 54087654

Frequently Asked Questions

What is the IUPAC name of (2S)-1-pyridin-4-ylpropan-2-ol?
The IUPAC name of (2S)-1-pyridin-4-ylpropan-2-ol (CID 94470889) is (2S)-1-pyridin-4-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-pyridin-4-ylpropan-2-ol?
The canonical SMILES for (2S)-1-pyridin-4-ylpropan-2-ol is C[C@H](O)Cc1ccncc1.
What is the InChIKey of (2S)-1-pyridin-4-ylpropan-2-ol?
The InChIKey is OIHJQFZKIPFYOD-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11NO/c1-7(10)6-8-2-4-9-5-3-8/h2-5,7,10H,6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-pyridin-4-ylpropan-2-ol?
(2S)-1-pyridin-4-ylpropan-2-ol has a molecular weight of 137.18 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-pyridin-4-ylpropan-2-ol is sourced from PubChem (CID 94470889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).