1-pyridin-4-yl-5-thiophen-2-ylpentan-2-ol

C14H17NOS — CID 66460697

IUPAC1-pyridin-4-yl-5-thiophen-2-ylpentan-2-ol
SMILESOC(CCCc1cccs1)Cc1ccncc1
InChIInChI=1S/C14H17NOS/c16-13(11-12-6-8-15-9-7-12)3-1-4-14-5-2-10-17-14/h2,5-10,13,16H,1,3-4,11H2
InChIKeyNRFAZDQMEDTVRJ-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.07
Rot. Bonds6

About 1-pyridin-4-yl-5-thiophen-2-ylpentan-2-ol

1-pyridin-4-yl-5-thiophen-2-ylpentan-2-ol (PubChem CID 66460697) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-pyridin-4-yl-5-thiophen-2-ylpentan-2-ol.

Molecular Properties

Compound Name1-pyridin-4-yl-5-thiophen-2-ylpentan-2-ol
PubChem CID66460697
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name1-pyridin-4-yl-5-thiophen-2-ylpentan-2-ol
SMILESOC(CCCc1cccs1)Cc1ccncc1
InChIInChI=1S/C14H17NOS/c16-13(11-12-6-8-15-9-7-12)3-1-4-14-5-2-10-17-14/h2,5-10,13,16H,1,3-4,11H2
InChIKeyNRFAZDQMEDTVRJ-UHFFFAOYSA-N
XLogP3.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(4-nitrophenyl)-5-thiophen-2-ylpentan-2-ol
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CID 54294228
1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-ol
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1-(4-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
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7-thiophen-2-ylhept-1-en-4-ol
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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-5-thiophen-2-ylpentan-2-ol?
The IUPAC name of 1-pyridin-4-yl-5-thiophen-2-ylpentan-2-ol (CID 66460697) is 1-pyridin-4-yl-5-thiophen-2-ylpentan-2-ol.
What is the SMILES notation for 1-pyridin-4-yl-5-thiophen-2-ylpentan-2-ol?
The canonical SMILES for 1-pyridin-4-yl-5-thiophen-2-ylpentan-2-ol is OC(CCCc1cccs1)Cc1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-5-thiophen-2-ylpentan-2-ol?
The InChIKey is NRFAZDQMEDTVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c16-13(11-12-6-8-15-9-7-12)3-1-4-14-5-2-10-17-14/h2,5-10,13,16H,1,3-4,11H2.
What are the key properties of 1-pyridin-4-yl-5-thiophen-2-ylpentan-2-ol?
1-pyridin-4-yl-5-thiophen-2-ylpentan-2-ol has a molecular weight of 247.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-5-thiophen-2-ylpentan-2-ol is sourced from PubChem (CID 66460697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).