4-chloro-6-[(E)-2-(3-fluorophenyl)ethenyl]pyrimidine

C12H8ClFN2 — CID 87686858

IUPAC4-chloro-6-[(E)-2-(3-fluorophenyl)ethenyl]pyrimidine
SMILESFc1cccc(/C=C/c2cc(Cl)ncn2)c1
InChIInChI=1S/C12H8ClFN2/c13-12-7-11(15-8-16-12)5-4-9-2-1-3-10(14)6-9/h1-8H/b5-4+
InChIKeyFAVWVTLQLCXZJK-SNAWJCMRSA-N
MW234.66 g/mol
LogP3.44
Rot. Bonds2

About 4-chloro-6-[(E)-2-(3-fluorophenyl)ethenyl]pyrimidine

4-chloro-6-[(E)-2-(3-fluorophenyl)ethenyl]pyrimidine (PubChem CID 87686858) has the molecular formula C12H8ClFN2 and a molecular weight of 234.66 g/mol. Its IUPAC name is 4-chloro-6-[(E)-2-(3-fluorophenyl)ethenyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(E)-2-(3-fluorophenyl)ethenyl]pyrimidine
PubChem CID87686858
Molecular FormulaC12H8ClFN2
Molecular Weight234.66 g/mol
Exact Mass234.04
IUPAC Name4-chloro-6-[(E)-2-(3-fluorophenyl)ethenyl]pyrimidine
SMILESFc1cccc(/C=C/c2cc(Cl)ncn2)c1
InChIInChI=1S/C12H8ClFN2/c13-12-7-11(15-8-16-12)5-4-9-2-1-3-10(14)6-9/h1-8H/b5-4+
InChIKeyFAVWVTLQLCXZJK-SNAWJCMRSA-N
XLogP3.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.66
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(E)-2-(3-fluorophenyl)ethenyl]pyrimidine?
The IUPAC name of 4-chloro-6-[(E)-2-(3-fluorophenyl)ethenyl]pyrimidine (CID 87686858) is 4-chloro-6-[(E)-2-(3-fluorophenyl)ethenyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-[(E)-2-(3-fluorophenyl)ethenyl]pyrimidine?
The canonical SMILES for 4-chloro-6-[(E)-2-(3-fluorophenyl)ethenyl]pyrimidine is Fc1cccc(/C=C/c2cc(Cl)ncn2)c1.
What is the InChIKey of 4-chloro-6-[(E)-2-(3-fluorophenyl)ethenyl]pyrimidine?
The InChIKey is FAVWVTLQLCXZJK-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H8ClFN2/c13-12-7-11(15-8-16-12)5-4-9-2-1-3-10(14)6-9/h1-8H/b5-4+.
What are the key properties of 4-chloro-6-[(E)-2-(3-fluorophenyl)ethenyl]pyrimidine?
4-chloro-6-[(E)-2-(3-fluorophenyl)ethenyl]pyrimidine has a molecular weight of 234.66 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(E)-2-(3-fluorophenyl)ethenyl]pyrimidine is sourced from PubChem (CID 87686858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).