1,1,2-tripyridin-3-ylethanol

C17H15N3O — CID 57425683

IUPAC1,1,2-tripyridin-3-ylethanol
SMILESOC(Cc1cccnc1)(c1cccnc1)c1cccnc1
InChIInChI=1S/C17H15N3O/c21-17(15-5-2-8-19-12-15,16-6-3-9-20-13-16)10-14-4-1-7-18-11-14/h1-9,11-13,21H,10H2
InChIKeyHAOUYYAGKUUJSX-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.35
Rot. Bonds4

About 1,1,2-tripyridin-3-ylethanol

1,1,2-tripyridin-3-ylethanol (PubChem CID 57425683) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1,1,2-tripyridin-3-ylethanol.

Molecular Properties

Compound Name1,1,2-tripyridin-3-ylethanol
PubChem CID57425683
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name1,1,2-tripyridin-3-ylethanol
SMILESOC(Cc1cccnc1)(c1cccnc1)c1cccnc1
InChIInChI=1S/C17H15N3O/c21-17(15-5-2-8-19-12-15,16-6-3-9-20-13-16)10-14-4-1-7-18-11-14/h1-9,11-13,21H,10H2
InChIKeyHAOUYYAGKUUJSX-UHFFFAOYSA-N
XLogP2.35
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-bis(4-fluorophenyl)-2-pyridin-3-ylethanol
CID 23036417
2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol
CID 104735632
tripyridin-3-ylmethanol
CID 177395677
2-methyl-2,3-dipyridin-3-ylpropanamide
CID 126521442
3-[1-(4-fluorophenyl)-1,2-dipyridin-3-ylethyl]pyridine
CID 67011551
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
1,2-diphenyl-1-pyridin-4-ylethanol;hydrochloride
CID 21149832
1-phenyl-1-pyridin-3-ylbut-3-en-1-ol
CID 13193271
6-(1-hydroxy-2-phenyl-1-pyridin-3-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854739
2-cyclopropyl-1-pyridin-3-ylpropan-2-ol
CID 104735640
1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-2-ol
CID 13120935
1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol
CID 104735827

Frequently Asked Questions

What is the IUPAC name of 1,1,2-tripyridin-3-ylethanol?
The IUPAC name of 1,1,2-tripyridin-3-ylethanol (CID 57425683) is 1,1,2-tripyridin-3-ylethanol.
What is the SMILES notation for 1,1,2-tripyridin-3-ylethanol?
The canonical SMILES for 1,1,2-tripyridin-3-ylethanol is OC(Cc1cccnc1)(c1cccnc1)c1cccnc1.
What is the InChIKey of 1,1,2-tripyridin-3-ylethanol?
The InChIKey is HAOUYYAGKUUJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c21-17(15-5-2-8-19-12-15,16-6-3-9-20-13-16)10-14-4-1-7-18-11-14/h1-9,11-13,21H,10H2.
What are the key properties of 1,1,2-tripyridin-3-ylethanol?
1,1,2-tripyridin-3-ylethanol has a molecular weight of 277.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tripyridin-3-ylethanol is sourced from PubChem (CID 57425683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).