2-chloro-4-[3-(1,3-dioxolan-2-yl)phenyl]pyrimidine

C13H11ClN2O2 — CID 121283963

IUPAC2-chloro-4-[3-(1,3-dioxolan-2-yl)phenyl]pyrimidine
SMILESClc1nccc(-c2cccc(C3OCCO3)c2)n1
InChIInChI=1S/C13H11ClN2O2/c14-13-15-5-4-11(16-13)9-2-1-3-10(8-9)12-17-6-7-18-12/h1-5,8,12H,6-7H2
InChIKeyNIERXKZXODHNLF-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.84
Rot. Bonds2

About 2-chloro-4-[3-(1,3-dioxolan-2-yl)phenyl]pyrimidine

2-chloro-4-[3-(1,3-dioxolan-2-yl)phenyl]pyrimidine (PubChem CID 121283963) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-chloro-4-[3-(1,3-dioxolan-2-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[3-(1,3-dioxolan-2-yl)phenyl]pyrimidine
PubChem CID121283963
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name2-chloro-4-[3-(1,3-dioxolan-2-yl)phenyl]pyrimidine
SMILESClc1nccc(-c2cccc(C3OCCO3)c2)n1
InChIInChI=1S/C13H11ClN2O2/c14-13-15-5-4-11(16-13)9-2-1-3-10(8-9)12-17-6-7-18-12/h1-5,8,12H,6-7H2
InChIKeyNIERXKZXODHNLF-UHFFFAOYSA-N
XLogP2.84
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(1,3-dioxolan-2-yl)phenyl]pyrimidine?
The IUPAC name of 2-chloro-4-[3-(1,3-dioxolan-2-yl)phenyl]pyrimidine (CID 121283963) is 2-chloro-4-[3-(1,3-dioxolan-2-yl)phenyl]pyrimidine.
What is the SMILES notation for 2-chloro-4-[3-(1,3-dioxolan-2-yl)phenyl]pyrimidine?
The canonical SMILES for 2-chloro-4-[3-(1,3-dioxolan-2-yl)phenyl]pyrimidine is Clc1nccc(-c2cccc(C3OCCO3)c2)n1.
What is the InChIKey of 2-chloro-4-[3-(1,3-dioxolan-2-yl)phenyl]pyrimidine?
The InChIKey is NIERXKZXODHNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-13-15-5-4-11(16-13)9-2-1-3-10(8-9)12-17-6-7-18-12/h1-5,8,12H,6-7H2.
What are the key properties of 2-chloro-4-[3-(1,3-dioxolan-2-yl)phenyl]pyrimidine?
2-chloro-4-[3-(1,3-dioxolan-2-yl)phenyl]pyrimidine has a molecular weight of 262.70 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(1,3-dioxolan-2-yl)phenyl]pyrimidine is sourced from PubChem (CID 121283963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).