1-pyridin-2-ylethyl propanoate

C10H13NO2 — CID 141268318

IUPAC1-pyridin-2-ylethyl propanoate
SMILESCCC(=O)OC(C)c1ccccn1
InChIInChI=1S/C10H13NO2/c1-3-10(12)13-8(2)9-6-4-5-7-11-9/h4-8H,3H2,1-2H3
InChIKeyUHZGTKFRQGUYIJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.10
Rot. Bonds3

About 1-pyridin-2-ylethyl propanoate

1-pyridin-2-ylethyl propanoate (PubChem CID 141268318) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-pyridin-2-ylethyl propanoate.

Molecular Properties

Compound Name1-pyridin-2-ylethyl propanoate
PubChem CID141268318
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-pyridin-2-ylethyl propanoate
SMILESCCC(=O)OC(C)c1ccccn1
InChIInChI=1S/C10H13NO2/c1-3-10(12)13-8(2)9-6-4-5-7-11-9/h4-8H,3H2,1-2H3
InChIKeyUHZGTKFRQGUYIJ-UHFFFAOYSA-N
XLogP2.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-2-ylethyl N-(aminomethylidene)carbamate
CID 91804895
[(1S)-1-pyridin-2-ylethyl] 4-carbamoylbenzoate
CID 95908447
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
[(1S)-1-pyridin-2-ylethyl] 5-bromopyridine-3-carboxylate
CID 95908461
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
2-methyl-1-pyridin-2-ylbutan-1-ol
CID 79444533
methyl 2-[4-(1-pyridin-2-ylethoxy)phenyl]acetate
CID 117095036
2-(1-pyridin-2-ylethoxycarbonylamino)benzoic acid
CID 67760510
1-(2-bromophenyl)ethyl propanoate
CID 174661782
4-ethyl-2-pyridin-2-ylhexan-3-one
CID 66448746
ethyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81401759
ethyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 81401378

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylethyl propanoate?
The IUPAC name of 1-pyridin-2-ylethyl propanoate (CID 141268318) is 1-pyridin-2-ylethyl propanoate.
What is the SMILES notation for 1-pyridin-2-ylethyl propanoate?
The canonical SMILES for 1-pyridin-2-ylethyl propanoate is CCC(=O)OC(C)c1ccccn1.
What is the InChIKey of 1-pyridin-2-ylethyl propanoate?
The InChIKey is UHZGTKFRQGUYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-10(12)13-8(2)9-6-4-5-7-11-9/h4-8H,3H2,1-2H3.
What are the key properties of 1-pyridin-2-ylethyl propanoate?
1-pyridin-2-ylethyl propanoate has a molecular weight of 179.22 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylethyl propanoate is sourced from PubChem (CID 141268318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).