pyridine;2-pyridin-3-ylethyl acetate

C14H16N2O2 — CID 23213945

IUPACpyridine;2-pyridin-3-ylethyl acetate
SMILESCC(=O)OCCc1cccnc1.c1ccncc1
InChIInChI=1S/C9H11NO2.C5H5N/c1-8(11)12-6-4-9-3-2-5-10-7-9;1-2-4-6-5-3-1/h2-3,5,7H,4,6H2,1H3;1-5H
InChIKeyTWXUYAUOWGEHEA-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.27
Rot. Bonds3

About pyridine;2-pyridin-3-ylethyl acetate

pyridine;2-pyridin-3-ylethyl acetate (PubChem CID 23213945) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is pyridine;2-pyridin-3-ylethyl acetate.

Molecular Properties

Compound Namepyridine;2-pyridin-3-ylethyl acetate
PubChem CID23213945
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namepyridine;2-pyridin-3-ylethyl acetate
SMILESCC(=O)OCCc1cccnc1.c1ccncc1
InChIInChI=1S/C9H11NO2.C5H5N/c1-8(11)12-6-4-9-3-2-5-10-7-9;1-2-4-6-5-3-1/h2-3,5,7H,4,6H2,1H3;1-5H
InChIKeyTWXUYAUOWGEHEA-UHFFFAOYSA-N
XLogP2.27
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;2-phenylethyl acetate
CID 174791962
3-pyridin-3-ylpropyl hydrogen carbonate
CID 154111868
2-(2-pyridin-3-ylethoxy)acetic acid
CID 83530002
2-pyridin-3-ylethyl N-(diaminomethylidene)carbamate
CID 142116410
2-pyridin-3-ylethyl 3-amino-2-methylbenzoate
CID 63262806
O-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride
CID 45158549
2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate
CID 142428515
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
2-pyridin-3-ylethyl 5-amino-2-methylpyridine-3-carboxylate
CID 55169977
2-pyridin-3-ylethyl 3-aminothiophene-2-carboxylate
CID 63263035
2-oxo-4-pyridin-3-ylbutanoic acid
CID 12014964

Frequently Asked Questions

What is the IUPAC name of pyridine;2-pyridin-3-ylethyl acetate?
The IUPAC name of pyridine;2-pyridin-3-ylethyl acetate (CID 23213945) is pyridine;2-pyridin-3-ylethyl acetate.
What is the SMILES notation for pyridine;2-pyridin-3-ylethyl acetate?
The canonical SMILES for pyridine;2-pyridin-3-ylethyl acetate is CC(=O)OCCc1cccnc1.c1ccncc1.
What is the InChIKey of pyridine;2-pyridin-3-ylethyl acetate?
The InChIKey is TWXUYAUOWGEHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C5H5N/c1-8(11)12-6-4-9-3-2-5-10-7-9;1-2-4-6-5-3-1/h2-3,5,7H,4,6H2,1H3;1-5H.
What are the key properties of pyridine;2-pyridin-3-ylethyl acetate?
pyridine;2-pyridin-3-ylethyl acetate has a molecular weight of 244.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine;2-pyridin-3-ylethyl acetate is sourced from PubChem (CID 23213945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).