2-cyclopropyl-2-hydroxy-1-pyridin-3-ylethanone

C10H11NO2 — CID 103455714

IUPAC2-cyclopropyl-2-hydroxy-1-pyridin-3-ylethanone
SMILESO=C(c1cccnc1)C(O)C1CC1
InChIInChI=1S/C10H11NO2/c12-9(7-3-4-7)10(13)8-2-1-5-11-6-8/h1-2,5-7,9,12H,3-4H2
InChIKeySVBBJQNTIBTFMA-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.04
Rot. Bonds3

About 2-cyclopropyl-2-hydroxy-1-pyridin-3-ylethanone

2-cyclopropyl-2-hydroxy-1-pyridin-3-ylethanone (PubChem CID 103455714) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-cyclopropyl-2-hydroxy-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-cyclopropyl-2-hydroxy-1-pyridin-3-ylethanone
PubChem CID103455714
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-cyclopropyl-2-hydroxy-1-pyridin-3-ylethanone
SMILESO=C(c1cccnc1)C(O)C1CC1
InChIInChI=1S/C10H11NO2/c12-9(7-3-4-7)10(13)8-2-1-5-11-6-8/h1-2,5-7,9,12H,3-4H2
InChIKeySVBBJQNTIBTFMA-UHFFFAOYSA-N
XLogP1.04
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diamino-1-pyridin-3-ylethanone
CID 174594045
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
pyridin-3-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone
CID 141122690
1-cyclohexyl-1-hydroxy-3-pyridin-3-ylpropan-2-one
CID 103457420
2-chloro-1-pyridin-3-ylbutan-1-one
CID 19779673
1-(dimethylamino)ethanol;pyridine-3-carboxylic acid
CID 23620885
CID 157283677
CID 157283677
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
CID 131854915
CID 131854915
nickel;pyridine-3-carboxylic acid
CID 174049937
[(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone
CID 98470590
oxan-4-yl(pyridin-3-yl)methanone
CID 11321445

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-hydroxy-1-pyridin-3-ylethanone?
The IUPAC name of 2-cyclopropyl-2-hydroxy-1-pyridin-3-ylethanone (CID 103455714) is 2-cyclopropyl-2-hydroxy-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-cyclopropyl-2-hydroxy-1-pyridin-3-ylethanone?
The canonical SMILES for 2-cyclopropyl-2-hydroxy-1-pyridin-3-ylethanone is O=C(c1cccnc1)C(O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-hydroxy-1-pyridin-3-ylethanone?
The InChIKey is SVBBJQNTIBTFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-9(7-3-4-7)10(13)8-2-1-5-11-6-8/h1-2,5-7,9,12H,3-4H2.
What are the key properties of 2-cyclopropyl-2-hydroxy-1-pyridin-3-ylethanone?
2-cyclopropyl-2-hydroxy-1-pyridin-3-ylethanone has a molecular weight of 177.20 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-hydroxy-1-pyridin-3-ylethanone is sourced from PubChem (CID 103455714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).