pyridin-2-yl cyclopropanecarboxylate

C9H9NO2 — CID 135376948

IUPACpyridin-2-yl cyclopropanecarboxylate
SMILESO=C(Oc1ccccn1)C1CC1
InChIInChI=1S/C9H9NO2/c11-9(7-4-5-7)12-8-3-1-2-6-10-8/h1-3,6-7H,4-5H2
InChIKeyJYLUDQLOMYQOOJ-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.40
Rot. Bonds2

About pyridin-2-yl cyclopropanecarboxylate

pyridin-2-yl cyclopropanecarboxylate (PubChem CID 135376948) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is pyridin-2-yl cyclopropanecarboxylate.

Molecular Properties

Compound Namepyridin-2-yl cyclopropanecarboxylate
PubChem CID135376948
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Namepyridin-2-yl cyclopropanecarboxylate
SMILESO=C(Oc1ccccn1)C1CC1
InChIInChI=1S/C9H9NO2/c11-9(7-4-5-7)12-8-3-1-2-6-10-8/h1-3,6-7H,4-5H2
InChIKeyJYLUDQLOMYQOOJ-UHFFFAOYSA-N
XLogP1.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

potassium;hydride;pyridin-2-yl cyclobutanecarboxylate
CID 175231447
pyridin-2-yl piperidine-4-carboxylate;hydrochloride
CID 174342486
dipyridin-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 67291878
dipyridin-2-yl carbonate
CID 2757370
pyridin-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 2913239
pyridin-2-yl 2-hydroxypiperidine-1-carboxylate
CID 175770002
(6-ethenyl-2-pyridinyl) cyclopropanecarboxylate
CID 164570668
[(1R,5S)-3-bicyclo[3.1.0]hexanyl] pyridin-2-yl carbonate
CID 90132201
[(Z)-[amino(pyridin-2-yl)methylidene]amino] cyclopropanecarboxylate
CID 5349701
(4-bromo-2-pyridinyl) cyclobutanecarboxylate
CID 175605072
pyridin-2-yl N-(azetidin-3-yl)carbamate
CID 175981988
(2-hydroxyphenyl) cyclopropanecarboxylate
CID 91694694

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl cyclopropanecarboxylate?
The IUPAC name of pyridin-2-yl cyclopropanecarboxylate (CID 135376948) is pyridin-2-yl cyclopropanecarboxylate.
What is the SMILES notation for pyridin-2-yl cyclopropanecarboxylate?
The canonical SMILES for pyridin-2-yl cyclopropanecarboxylate is O=C(Oc1ccccn1)C1CC1.
What is the InChIKey of pyridin-2-yl cyclopropanecarboxylate?
The InChIKey is JYLUDQLOMYQOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-9(7-4-5-7)12-8-3-1-2-6-10-8/h1-3,6-7H,4-5H2.
What are the key properties of pyridin-2-yl cyclopropanecarboxylate?
pyridin-2-yl cyclopropanecarboxylate has a molecular weight of 163.18 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl cyclopropanecarboxylate is sourced from PubChem (CID 135376948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).