pyridin-3-yl 2-pyridin-3-ylacetate

C12H10N2O2 — CID 142079829

IUPACpyridin-3-yl 2-pyridin-3-ylacetate
SMILESO=C(Cc1cccnc1)Oc1cccnc1
InChIInChI=1S/C12H10N2O2/c15-12(7-10-3-1-5-13-8-10)16-11-4-2-6-14-9-11/h1-6,8-9H,7H2
InChIKeyJRLYKNYPLBTJCM-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.62
Rot. Bonds3

About pyridin-3-yl 2-pyridin-3-ylacetate

pyridin-3-yl 2-pyridin-3-ylacetate (PubChem CID 142079829) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is pyridin-3-yl 2-pyridin-3-ylacetate.

Molecular Properties

Compound Namepyridin-3-yl 2-pyridin-3-ylacetate
PubChem CID142079829
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Namepyridin-3-yl 2-pyridin-3-ylacetate
SMILESO=C(Cc1cccnc1)Oc1cccnc1
InChIInChI=1S/C12H10N2O2/c15-12(7-10-3-1-5-13-8-10)16-11-4-2-6-14-9-11/h1-6,8-9H,7H2
InChIKeyJRLYKNYPLBTJCM-UHFFFAOYSA-N
XLogP1.62
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 66868100
CID 66868100
2-pyridin-3-ylacetyl chloride
CID 14697475
lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035
phenyl 2-phenylacetate;zinc
CID 70522084
barium(2+);hydride;phenyl 2-phenylacetate
CID 174636717
pyridin-3-yl (3S)-3-benzylsulfanylbutanoate
CID 135044758
1-bromo-3-pyridin-3-ylpropan-2-one;hydrobromide
CID 44818466
3-pyridin-3-yl-2-sulfanylidenepropanoic acid
CID 7376223
ethyl 3-oxo-4-pyridin-3-ylbutanoate
CID 62551209
1-(3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621028
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
pyridin-3-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate
CID 18872561

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl 2-pyridin-3-ylacetate?
The IUPAC name of pyridin-3-yl 2-pyridin-3-ylacetate (CID 142079829) is pyridin-3-yl 2-pyridin-3-ylacetate.
What is the SMILES notation for pyridin-3-yl 2-pyridin-3-ylacetate?
The canonical SMILES for pyridin-3-yl 2-pyridin-3-ylacetate is O=C(Cc1cccnc1)Oc1cccnc1.
What is the InChIKey of pyridin-3-yl 2-pyridin-3-ylacetate?
The InChIKey is JRLYKNYPLBTJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-12(7-10-3-1-5-13-8-10)16-11-4-2-6-14-9-11/h1-6,8-9H,7H2.
What are the key properties of pyridin-3-yl 2-pyridin-3-ylacetate?
pyridin-3-yl 2-pyridin-3-ylacetate has a molecular weight of 214.22 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 2-pyridin-3-ylacetate is sourced from PubChem (CID 142079829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).