pyridin-3-yl 3,4-dichlorobenzoate

C12H7Cl2NO2 — CID 3239779

IUPACpyridin-3-yl 3,4-dichlorobenzoate
SMILESO=C(Oc1cccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl2NO2/c13-10-4-3-8(6-11(10)14)12(16)17-9-2-1-5-15-7-9/h1-7H
InChIKeyKCZNXICHYFBCMX-UHFFFAOYSA-N
MW268.10 g/mol
LogP3.61
Rot. Bonds2

About pyridin-3-yl 3,4-dichlorobenzoate

pyridin-3-yl 3,4-dichlorobenzoate (PubChem CID 3239779) has the molecular formula C12H7Cl2NO2 and a molecular weight of 268.10 g/mol. Its IUPAC name is pyridin-3-yl 3,4-dichlorobenzoate.

Molecular Properties

Compound Namepyridin-3-yl 3,4-dichlorobenzoate
PubChem CID3239779
Molecular FormulaC12H7Cl2NO2
Molecular Weight268.10 g/mol
Exact Mass266.99
IUPAC Namepyridin-3-yl 3,4-dichlorobenzoate
SMILESO=C(Oc1cccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl2NO2/c13-10-4-3-8(6-11(10)14)12(16)17-9-2-1-5-15-7-9/h1-7H
InChIKeyKCZNXICHYFBCMX-UHFFFAOYSA-N
XLogP3.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl 3,4-dichlorobenzoate?
The IUPAC name of pyridin-3-yl 3,4-dichlorobenzoate (CID 3239779) is pyridin-3-yl 3,4-dichlorobenzoate.
What is the SMILES notation for pyridin-3-yl 3,4-dichlorobenzoate?
The canonical SMILES for pyridin-3-yl 3,4-dichlorobenzoate is O=C(Oc1cccnc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of pyridin-3-yl 3,4-dichlorobenzoate?
The InChIKey is KCZNXICHYFBCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO2/c13-10-4-3-8(6-11(10)14)12(16)17-9-2-1-5-15-7-9/h1-7H.
What are the key properties of pyridin-3-yl 3,4-dichlorobenzoate?
pyridin-3-yl 3,4-dichlorobenzoate has a molecular weight of 268.10 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 3,4-dichlorobenzoate is sourced from PubChem (CID 3239779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).