2-chloro-5-(1,3-dioxol-2-yl)pyrimidine

C7H5ClN2O2 — CID 141389024

IUPAC2-chloro-5-(1,3-dioxol-2-yl)pyrimidine
SMILESClc1ncc(C2OC=CO2)cn1
InChIInChI=1S/C7H5ClN2O2/c8-7-9-3-5(4-10-7)6-11-1-2-12-6/h1-4,6H
InChIKeyWVRBSWRDAIFADB-UHFFFAOYSA-N
MW184.58 g/mol
LogP1.65
Rot. Bonds1

About 2-chloro-5-(1,3-dioxol-2-yl)pyrimidine

2-chloro-5-(1,3-dioxol-2-yl)pyrimidine (PubChem CID 141389024) has the molecular formula C7H5ClN2O2 and a molecular weight of 184.58 g/mol. Its IUPAC name is 2-chloro-5-(1,3-dioxol-2-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-(1,3-dioxol-2-yl)pyrimidine
PubChem CID141389024
Molecular FormulaC7H5ClN2O2
Molecular Weight184.58 g/mol
Exact Mass184.00
IUPAC Name2-chloro-5-(1,3-dioxol-2-yl)pyrimidine
SMILESClc1ncc(C2OC=CO2)cn1
InChIInChI=1S/C7H5ClN2O2/c8-7-9-3-5(4-10-7)6-11-1-2-12-6/h1-4,6H
InChIKeyWVRBSWRDAIFADB-UHFFFAOYSA-N
XLogP1.65
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.58
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1,3-dioxol-2-yl)pyrimidine?
The IUPAC name of 2-chloro-5-(1,3-dioxol-2-yl)pyrimidine (CID 141389024) is 2-chloro-5-(1,3-dioxol-2-yl)pyrimidine.
What is the SMILES notation for 2-chloro-5-(1,3-dioxol-2-yl)pyrimidine?
The canonical SMILES for 2-chloro-5-(1,3-dioxol-2-yl)pyrimidine is Clc1ncc(C2OC=CO2)cn1.
What is the InChIKey of 2-chloro-5-(1,3-dioxol-2-yl)pyrimidine?
The InChIKey is WVRBSWRDAIFADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2/c8-7-9-3-5(4-10-7)6-11-1-2-12-6/h1-4,6H.
What are the key properties of 2-chloro-5-(1,3-dioxol-2-yl)pyrimidine?
2-chloro-5-(1,3-dioxol-2-yl)pyrimidine has a molecular weight of 184.58 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1,3-dioxol-2-yl)pyrimidine is sourced from PubChem (CID 141389024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).