pyridin-3-yl 3-chlorobenzoate

C12H8ClNO2 — CID 943638

IUPACpyridin-3-yl 3-chlorobenzoate
SMILESO=C(Oc1cccnc1)c1cccc(Cl)c1
InChIInChI=1S/C12H8ClNO2/c13-10-4-1-3-9(7-10)12(15)16-11-5-2-6-14-8-11/h1-8H
InChIKeyDKJMMRRCBINSFH-UHFFFAOYSA-N
MW233.65 g/mol
LogP2.95
Rot. Bonds2

About pyridin-3-yl 3-chlorobenzoate

pyridin-3-yl 3-chlorobenzoate (PubChem CID 943638) has the molecular formula C12H8ClNO2 and a molecular weight of 233.65 g/mol. Its IUPAC name is pyridin-3-yl 3-chlorobenzoate.

Molecular Properties

Compound Namepyridin-3-yl 3-chlorobenzoate
PubChem CID943638
Molecular FormulaC12H8ClNO2
Molecular Weight233.65 g/mol
Exact Mass233.02
IUPAC Namepyridin-3-yl 3-chlorobenzoate
SMILESO=C(Oc1cccnc1)c1cccc(Cl)c1
InChIInChI=1S/C12H8ClNO2/c13-10-4-1-3-9(7-10)12(15)16-11-5-2-6-14-8-11/h1-8H
InChIKeyDKJMMRRCBINSFH-UHFFFAOYSA-N
XLogP2.95
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl 3-chlorobenzoate?
The IUPAC name of pyridin-3-yl 3-chlorobenzoate (CID 943638) is pyridin-3-yl 3-chlorobenzoate.
What is the SMILES notation for pyridin-3-yl 3-chlorobenzoate?
The canonical SMILES for pyridin-3-yl 3-chlorobenzoate is O=C(Oc1cccnc1)c1cccc(Cl)c1.
What is the InChIKey of pyridin-3-yl 3-chlorobenzoate?
The InChIKey is DKJMMRRCBINSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO2/c13-10-4-1-3-9(7-10)12(15)16-11-5-2-6-14-8-11/h1-8H.
What are the key properties of pyridin-3-yl 3-chlorobenzoate?
pyridin-3-yl 3-chlorobenzoate has a molecular weight of 233.65 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 3-chlorobenzoate is sourced from PubChem (CID 943638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).