(2R)-1-pyridin-4-ylbutan-2-ol

C9H13NO — CID 94470888

IUPAC(2R)-1-pyridin-4-ylbutan-2-ol
SMILESCC[C@@H](O)Cc1ccncc1
InChIInChI=1S/C9H13NO/c1-2-9(11)7-8-3-5-10-6-4-8/h3-6,9,11H,2,7H2,1H3/t9-/m1/s1
InChIKeyMBOGGZOXAQTIJI-SECBINFHSA-N
MW151.21 g/mol
LogP1.39
Rot. Bonds3

About (2R)-1-pyridin-4-ylbutan-2-ol

(2R)-1-pyridin-4-ylbutan-2-ol (PubChem CID 94470888) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (2R)-1-pyridin-4-ylbutan-2-ol.

Molecular Properties

Compound Name(2R)-1-pyridin-4-ylbutan-2-ol
PubChem CID94470888
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(2R)-1-pyridin-4-ylbutan-2-ol
SMILESCC[C@@H](O)Cc1ccncc1
InChIInChI=1S/C9H13NO/c1-2-9(11)7-8-3-5-10-6-4-8/h3-6,9,11H,2,7H2,1H3/t9-/m1/s1
InChIKeyMBOGGZOXAQTIJI-SECBINFHSA-N
XLogP1.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-pyridin-4-ylpropan-2-ol
CID 94470889
1-(5-ethylthiophen-2-yl)-3-pyridin-4-ylpropan-2-ol
CID 62608280
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
3-methoxy-1-pyridin-4-ylpentan-2-ol
CID 116710698
1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 82919441
(2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol
CID 96823406
3-propyl-1-pyridin-4-ylhexan-2-ol
CID 82995140
4-methyl-3-phenyl-1-pyridin-4-ylhexan-2-ol
CID 115814018
1-cyclobutyl-3-pyridin-4-ylpropan-2-ol
CID 65457180
3-methyl-1-pyridin-4-ylbutane-2,3-diol
CID 103448896
1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-2-ol
CID 79752618

Frequently Asked Questions

What is the IUPAC name of (2R)-1-pyridin-4-ylbutan-2-ol?
The IUPAC name of (2R)-1-pyridin-4-ylbutan-2-ol (CID 94470888) is (2R)-1-pyridin-4-ylbutan-2-ol.
What is the SMILES notation for (2R)-1-pyridin-4-ylbutan-2-ol?
The canonical SMILES for (2R)-1-pyridin-4-ylbutan-2-ol is CC[C@@H](O)Cc1ccncc1.
What is the InChIKey of (2R)-1-pyridin-4-ylbutan-2-ol?
The InChIKey is MBOGGZOXAQTIJI-SECBINFHSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-9(11)7-8-3-5-10-6-4-8/h3-6,9,11H,2,7H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-pyridin-4-ylbutan-2-ol?
(2R)-1-pyridin-4-ylbutan-2-ol has a molecular weight of 151.21 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-pyridin-4-ylbutan-2-ol is sourced from PubChem (CID 94470888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).