ethane;4-pyridin-3-ylbutan-1-ol

C11H19NO — CID 177219832

IUPACethane;4-pyridin-3-ylbutan-1-ol
SMILESCC.OCCCCc1cccnc1
InChIInChI=1S/C9H13NO.C2H6/c11-7-2-1-4-9-5-3-6-10-8-9;1-2/h3,5-6,8,11H,1-2,4,7H2;1-2H3
InChIKeyGNPWYQFTRIOIDF-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.42
Rot. Bonds4

About ethane;4-pyridin-3-ylbutan-1-ol

ethane;4-pyridin-3-ylbutan-1-ol (PubChem CID 177219832) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;4-pyridin-3-ylbutan-1-ol.

Molecular Properties

Compound Nameethane;4-pyridin-3-ylbutan-1-ol
PubChem CID177219832
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameethane;4-pyridin-3-ylbutan-1-ol
SMILESCC.OCCCCc1cccnc1
InChIInChI=1S/C9H13NO.C2H6/c11-7-2-1-4-9-5-3-6-10-8-9;1-2/h3,5-6,8,11H,1-2,4,7H2;1-2H3
InChIKeyGNPWYQFTRIOIDF-UHFFFAOYSA-N
XLogP2.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-pyridin-3-yloctan-1-ol
CID 11830623
argon;2-pyridin-3-ylethanol
CID 159015973
(E)-12-pyridin-3-yldodec-3-en-1-ol
CID 11043541
3-(5-methylhexyl)pyridine
CID 54316004
3-(14-methylpentadecyl)pyridine
CID 19697272
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
N,N-diethyl-3-pyridin-3-ylpropan-1-amine
CID 121009449
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217
5-pyridin-3-ylpentanedithioic acid
CID 87480230
[4-(2-pyridin-3-ylethyl)phenyl]methanol
CID 57319891
4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide
CID 115163161
8-pyridin-3-yloctane-1-sulfonic acid
CID 102468636

Frequently Asked Questions

What is the IUPAC name of ethane;4-pyridin-3-ylbutan-1-ol?
The IUPAC name of ethane;4-pyridin-3-ylbutan-1-ol (CID 177219832) is ethane;4-pyridin-3-ylbutan-1-ol.
What is the SMILES notation for ethane;4-pyridin-3-ylbutan-1-ol?
The canonical SMILES for ethane;4-pyridin-3-ylbutan-1-ol is CC.OCCCCc1cccnc1.
What is the InChIKey of ethane;4-pyridin-3-ylbutan-1-ol?
The InChIKey is GNPWYQFTRIOIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c11-7-2-1-4-9-5-3-6-10-8-9;1-2/h3,5-6,8,11H,1-2,4,7H2;1-2H3.
What are the key properties of ethane;4-pyridin-3-ylbutan-1-ol?
ethane;4-pyridin-3-ylbutan-1-ol has a molecular weight of 181.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-pyridin-3-ylbutan-1-ol is sourced from PubChem (CID 177219832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).