4-chloro-2-[(E)-2-(2,4-difluorophenyl)ethenyl]-6-methylpyrimidine

C13H9ClF2N2 — CID 18763622

IUPAC4-chloro-2-[(E)-2-(2,4-difluorophenyl)ethenyl]-6-methylpyrimidine
SMILESCc1cc(Cl)nc(/C=C/c2ccc(F)cc2F)n1
InChIInChI=1S/C13H9ClF2N2/c1-8-6-12(14)18-13(17-8)5-3-9-2-4-10(15)7-11(9)16/h2-7H,1H3/b5-3+
InChIKeyZKKWAHLVICCANS-HWKANZROSA-N
MW266.68 g/mol
LogP3.89
Rot. Bonds2

About 4-chloro-2-[(E)-2-(2,4-difluorophenyl)ethenyl]-6-methylpyrimidine

4-chloro-2-[(E)-2-(2,4-difluorophenyl)ethenyl]-6-methylpyrimidine (PubChem CID 18763622) has the molecular formula C13H9ClF2N2 and a molecular weight of 266.68 g/mol. Its IUPAC name is 4-chloro-2-[(E)-2-(2,4-difluorophenyl)ethenyl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(E)-2-(2,4-difluorophenyl)ethenyl]-6-methylpyrimidine
PubChem CID18763622
Molecular FormulaC13H9ClF2N2
Molecular Weight266.68 g/mol
Exact Mass266.04
IUPAC Name4-chloro-2-[(E)-2-(2,4-difluorophenyl)ethenyl]-6-methylpyrimidine
SMILESCc1cc(Cl)nc(/C=C/c2ccc(F)cc2F)n1
InChIInChI=1S/C13H9ClF2N2/c1-8-6-12(14)18-13(17-8)5-3-9-2-4-10(15)7-11(9)16/h2-7H,1H3/b5-3+
InChIKeyZKKWAHLVICCANS-HWKANZROSA-N
XLogP3.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-2-(2,4-difluorophenyl)ethenyl]-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-[(E)-2-(2,4-difluorophenyl)ethenyl]-6-methylpyrimidine (CID 18763622) is 4-chloro-2-[(E)-2-(2,4-difluorophenyl)ethenyl]-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-[(E)-2-(2,4-difluorophenyl)ethenyl]-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-[(E)-2-(2,4-difluorophenyl)ethenyl]-6-methylpyrimidine is Cc1cc(Cl)nc(/C=C/c2ccc(F)cc2F)n1.
What is the InChIKey of 4-chloro-2-[(E)-2-(2,4-difluorophenyl)ethenyl]-6-methylpyrimidine?
The InChIKey is ZKKWAHLVICCANS-HWKANZROSA-N. The full InChI is InChI=1S/C13H9ClF2N2/c1-8-6-12(14)18-13(17-8)5-3-9-2-4-10(15)7-11(9)16/h2-7H,1H3/b5-3+.
What are the key properties of 4-chloro-2-[(E)-2-(2,4-difluorophenyl)ethenyl]-6-methylpyrimidine?
4-chloro-2-[(E)-2-(2,4-difluorophenyl)ethenyl]-6-methylpyrimidine has a molecular weight of 266.68 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-2-(2,4-difluorophenyl)ethenyl]-6-methylpyrimidine is sourced from PubChem (CID 18763622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).