3-pyridin-3-ylbutan-1-ol

C9H13NO — CID 23506282

IUPAC3-pyridin-3-ylbutan-1-ol
SMILESCC(CCO)c1cccnc1
InChIInChI=1S/C9H13NO/c1-8(4-6-11)9-3-2-5-10-7-9/h2-3,5,7-8,11H,4,6H2,1H3
InChIKeyUEKWBNCLAIQFJI-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.57
Rot. Bonds3

About 3-pyridin-3-ylbutan-1-ol

3-pyridin-3-ylbutan-1-ol (PubChem CID 23506282) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-pyridin-3-ylbutan-1-ol.

Molecular Properties

Compound Name3-pyridin-3-ylbutan-1-ol
PubChem CID23506282
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-pyridin-3-ylbutan-1-ol
SMILESCC(CCO)c1cccnc1
InChIInChI=1S/C9H13NO/c1-8(4-6-11)9-3-2-5-10-7-9/h2-3,5,7-8,11H,4,6H2,1H3
InChIKeyUEKWBNCLAIQFJI-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methylamino)-3-pyridin-3-ylpropan-1-ol
CID 64815324
3-(1-pyridin-3-ylbutylamino)butan-1-ol
CID 104582590
3-pyridin-3-ylbutanal
CID 12727117
(4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol
CID 97051673
2,2-dipyridin-3-ylethanol
CID 57450821
(4R)-4-amino-4-pyridin-3-ylbutan-1-ol
CID 15886729
4-amino-4-pyridin-3-ylbutan-1-ol
CID 85412290
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
6-(1-pyridin-3-ylethylamino)hexan-1-ol
CID 115906807
ethyl 3-pyridin-3-ylbutanoate
CID 12727116
3-[(Z)-hept-4-en-2-yl]pyridine
CID 83929814
2-(8-phenyl-5-pyridin-3-ylnonan-2-yl)pyridine
CID 170738038

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-ylbutan-1-ol?
The IUPAC name of 3-pyridin-3-ylbutan-1-ol (CID 23506282) is 3-pyridin-3-ylbutan-1-ol.
What is the SMILES notation for 3-pyridin-3-ylbutan-1-ol?
The canonical SMILES for 3-pyridin-3-ylbutan-1-ol is CC(CCO)c1cccnc1.
What is the InChIKey of 3-pyridin-3-ylbutan-1-ol?
The InChIKey is UEKWBNCLAIQFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-8(4-6-11)9-3-2-5-10-7-9/h2-3,5,7-8,11H,4,6H2,1H3.
What are the key properties of 3-pyridin-3-ylbutan-1-ol?
3-pyridin-3-ylbutan-1-ol has a molecular weight of 151.21 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-ylbutan-1-ol is sourced from PubChem (CID 23506282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).