2-chloro-4-ethenylpyrimidine

C6H5ClN2 — CID 45080173

IUPAC2-chloro-4-ethenylpyrimidine
SMILESC=Cc1ccnc(Cl)n1
InChIInChI=1S/C6H5ClN2/c1-2-5-3-4-8-6(7)9-5/h2-4H,1H2
InChIKeyDYNFGCFGPTZBMR-UHFFFAOYSA-N
MW140.57 g/mol
LogP1.77
Rot. Bonds1

About 2-chloro-4-ethenylpyrimidine

2-chloro-4-ethenylpyrimidine (PubChem CID 45080173) has the molecular formula C6H5ClN2 and a molecular weight of 140.57 g/mol. Its IUPAC name is 2-chloro-4-ethenylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-ethenylpyrimidine
PubChem CID45080173
Molecular FormulaC6H5ClN2
Molecular Weight140.57 g/mol
Exact Mass140.01
IUPAC Name2-chloro-4-ethenylpyrimidine
SMILESC=Cc1ccnc(Cl)n1
InChIInChI=1S/C6H5ClN2/c1-2-5-3-4-8-6(7)9-5/h2-4H,1H2
InChIKeyDYNFGCFGPTZBMR-UHFFFAOYSA-N
XLogP1.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.57
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethenylpyrimidine?
The IUPAC name of 2-chloro-4-ethenylpyrimidine (CID 45080173) is 2-chloro-4-ethenylpyrimidine.
What is the SMILES notation for 2-chloro-4-ethenylpyrimidine?
The canonical SMILES for 2-chloro-4-ethenylpyrimidine is C=Cc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-ethenylpyrimidine?
The InChIKey is DYNFGCFGPTZBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2/c1-2-5-3-4-8-6(7)9-5/h2-4H,1H2.
What are the key properties of 2-chloro-4-ethenylpyrimidine?
2-chloro-4-ethenylpyrimidine has a molecular weight of 140.57 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethenylpyrimidine is sourced from PubChem (CID 45080173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).