propan-1-ol;1-(2-pyridin-2-yl-3-pyridinyl)ethanone

C15H18N2O2 — CID 142200499

IUPACpropan-1-ol;1-(2-pyridin-2-yl-3-pyridinyl)ethanone
SMILESCC(=O)c1cccnc1-c1ccccn1.CCCO
InChIInChI=1S/C12H10N2O.C3H8O/c1-9(15)10-5-4-8-14-12(10)11-6-2-3-7-13-11;1-2-3-4/h2-8H,1H3;4H,2-3H2,1H3
InChIKeyPZMPEUWTKLOJTH-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.73
Rot. Bonds3

About propan-1-ol;1-(2-pyridin-2-yl-3-pyridinyl)ethanone

propan-1-ol;1-(2-pyridin-2-yl-3-pyridinyl)ethanone (PubChem CID 142200499) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is propan-1-ol;1-(2-pyridin-2-yl-3-pyridinyl)ethanone.

Molecular Properties

Compound Namepropan-1-ol;1-(2-pyridin-2-yl-3-pyridinyl)ethanone
PubChem CID142200499
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Namepropan-1-ol;1-(2-pyridin-2-yl-3-pyridinyl)ethanone
SMILESCC(=O)c1cccnc1-c1ccccn1.CCCO
InChIInChI=1S/C12H10N2O.C3H8O/c1-9(15)10-5-4-8-14-12(10)11-6-2-3-7-13-11;1-2-3-4/h2-8H,1H3;4H,2-3H2,1H3
InChIKeyPZMPEUWTKLOJTH-UHFFFAOYSA-N
XLogP2.73
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-pyridin-2-ylpyrazin-2-yl)ethanone
CID 121428199
2-(2-pyridin-2-yl-3-pyridinyl)benzoic acid
CID 141463782
1-(5-pyridin-2-yl-2H-triazol-4-yl)ethanone
CID 82372895
2,3-dimethylpyridine;2-pyridin-2-ylpyridine-3-carboxylic acid;ruthenium
CID 175593877
1-(2-pyridin-4-yl-3-pyridinyl)ethanone
CID 155731304
bis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc
CID 166063488
ethane;3-propyl-2-pyridin-2-ylpyridine
CID 144702934
1-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)ethanone
CID 62771013
N-(3-methoxyphenyl)-2-pyridin-2-ylpyridine-3-carboxamide
CID 10125587
diethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium
CID 174651960
3-heptan-3-yl-2-pyridin-2-ylpyridine
CID 154256710
propane;2-pyridin-2-ylpyridine
CID 158168510

Frequently Asked Questions

What is the IUPAC name of propan-1-ol;1-(2-pyridin-2-yl-3-pyridinyl)ethanone?
The IUPAC name of propan-1-ol;1-(2-pyridin-2-yl-3-pyridinyl)ethanone (CID 142200499) is propan-1-ol;1-(2-pyridin-2-yl-3-pyridinyl)ethanone.
What is the SMILES notation for propan-1-ol;1-(2-pyridin-2-yl-3-pyridinyl)ethanone?
The canonical SMILES for propan-1-ol;1-(2-pyridin-2-yl-3-pyridinyl)ethanone is CC(=O)c1cccnc1-c1ccccn1.CCCO.
What is the InChIKey of propan-1-ol;1-(2-pyridin-2-yl-3-pyridinyl)ethanone?
The InChIKey is PZMPEUWTKLOJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O.C3H8O/c1-9(15)10-5-4-8-14-12(10)11-6-2-3-7-13-11;1-2-3-4/h2-8H,1H3;4H,2-3H2,1H3.
What are the key properties of propan-1-ol;1-(2-pyridin-2-yl-3-pyridinyl)ethanone?
propan-1-ol;1-(2-pyridin-2-yl-3-pyridinyl)ethanone has a molecular weight of 258.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-ol;1-(2-pyridin-2-yl-3-pyridinyl)ethanone is sourced from PubChem (CID 142200499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).