1-(2-ethoxy-3-pyridinyl)propan-2-one

C10H13NO2 — CID 83875082

IUPAC1-(2-ethoxy-3-pyridinyl)propan-2-one
SMILESCCOc1ncccc1CC(C)=O
InChIInChI=1S/C10H13NO2/c1-3-13-10-9(7-8(2)12)5-4-6-11-10/h4-6H,3,7H2,1-2H3
InChIKeyYRDHHIGLNCTCNR-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.61
Rot. Bonds4

About 1-(2-ethoxy-3-pyridinyl)propan-2-one

1-(2-ethoxy-3-pyridinyl)propan-2-one (PubChem CID 83875082) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(2-ethoxy-3-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-(2-ethoxy-3-pyridinyl)propan-2-one
PubChem CID83875082
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-(2-ethoxy-3-pyridinyl)propan-2-one
SMILESCCOc1ncccc1CC(C)=O
InChIInChI=1S/C10H13NO2/c1-3-13-10-9(7-8(2)12)5-4-6-11-10/h4-6H,3,7H2,1-2H3
InChIKeyYRDHHIGLNCTCNR-UHFFFAOYSA-N
XLogP1.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethoxy-3-pyridinyl)methyl carbamate
CID 175042613
3-(2-ethoxy-3-pyridinyl)-2-methylpropanoic acid
CID 83884320
2-amino-3-(2-ethoxy-3-pyridinyl)propanoic acid
CID 170879502
N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide
CID 37488136
N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62290832
3-tert-butyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea
CID 53184952
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea
CID 47160556
4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 37487511
cis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 38537729
N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
CID 62290830
2-[2-(2-methylpropoxy)-3-pyridinyl]acetic acid
CID 83884318
3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 30832504

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-3-pyridinyl)propan-2-one?
The IUPAC name of 1-(2-ethoxy-3-pyridinyl)propan-2-one (CID 83875082) is 1-(2-ethoxy-3-pyridinyl)propan-2-one.
What is the SMILES notation for 1-(2-ethoxy-3-pyridinyl)propan-2-one?
The canonical SMILES for 1-(2-ethoxy-3-pyridinyl)propan-2-one is CCOc1ncccc1CC(C)=O.
What is the InChIKey of 1-(2-ethoxy-3-pyridinyl)propan-2-one?
The InChIKey is YRDHHIGLNCTCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-13-10-9(7-8(2)12)5-4-6-11-10/h4-6H,3,7H2,1-2H3.
What are the key properties of 1-(2-ethoxy-3-pyridinyl)propan-2-one?
1-(2-ethoxy-3-pyridinyl)propan-2-one has a molecular weight of 179.22 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-3-pyridinyl)propan-2-one is sourced from PubChem (CID 83875082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).