2-chloro-4-[(E)-2-phenylethenyl]pyrimidine

C12H9ClN2 — CID 14320987

IUPAC2-chloro-4-[(E)-2-phenylethenyl]pyrimidine
SMILESClc1nccc(/C=C/c2ccccc2)n1
InChIInChI=1S/C12H9ClN2/c13-12-14-9-8-11(15-12)7-6-10-4-2-1-3-5-10/h1-9H/b7-6+
InChIKeyNEKOKWFCEVJIFS-VOTSOKGWSA-N
MW216.67 g/mol
LogP3.30
Rot. Bonds2

About 2-chloro-4-[(E)-2-phenylethenyl]pyrimidine

2-chloro-4-[(E)-2-phenylethenyl]pyrimidine (PubChem CID 14320987) has the molecular formula C12H9ClN2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 2-chloro-4-[(E)-2-phenylethenyl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[(E)-2-phenylethenyl]pyrimidine
PubChem CID14320987
Molecular FormulaC12H9ClN2
Molecular Weight216.67 g/mol
Exact Mass216.05
IUPAC Name2-chloro-4-[(E)-2-phenylethenyl]pyrimidine
SMILESClc1nccc(/C=C/c2ccccc2)n1
InChIInChI=1S/C12H9ClN2/c13-12-14-9-8-11(15-12)7-6-10-4-2-1-3-5-10/h1-9H/b7-6+
InChIKeyNEKOKWFCEVJIFS-VOTSOKGWSA-N
XLogP3.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(E)-2-phenylethenyl]pyrimidine?
The IUPAC name of 2-chloro-4-[(E)-2-phenylethenyl]pyrimidine (CID 14320987) is 2-chloro-4-[(E)-2-phenylethenyl]pyrimidine.
What is the SMILES notation for 2-chloro-4-[(E)-2-phenylethenyl]pyrimidine?
The canonical SMILES for 2-chloro-4-[(E)-2-phenylethenyl]pyrimidine is Clc1nccc(/C=C/c2ccccc2)n1.
What is the InChIKey of 2-chloro-4-[(E)-2-phenylethenyl]pyrimidine?
The InChIKey is NEKOKWFCEVJIFS-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H9ClN2/c13-12-14-9-8-11(15-12)7-6-10-4-2-1-3-5-10/h1-9H/b7-6+.
What are the key properties of 2-chloro-4-[(E)-2-phenylethenyl]pyrimidine?
2-chloro-4-[(E)-2-phenylethenyl]pyrimidine has a molecular weight of 216.67 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(E)-2-phenylethenyl]pyrimidine is sourced from PubChem (CID 14320987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).