5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine

C14H11FN2 — CID 6539805

IUPAC5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine
SMILESFc1ccc2c(c1)CC/C2=C\c1cncnc1
InChIInChI=1S/C14H11FN2/c15-13-3-4-14-11(1-2-12(14)6-13)5-10-7-16-9-17-8-10/h3-9H,1-2H2/b11-5+
InChIKeyLEJPKWXGQFBXRX-VZUCSPMQSA-N
MW226.25 g/mol
LogP3.10
Rot. Bonds1

About 5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine

5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine (PubChem CID 6539805) has the molecular formula C14H11FN2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine.

Molecular Properties

Compound Name5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine
PubChem CID6539805
Molecular FormulaC14H11FN2
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine
SMILESFc1ccc2c(c1)CC/C2=C\c1cncnc1
InChIInChI=1S/C14H11FN2/c15-13-3-4-14-11(1-2-12(14)6-13)5-10-7-16-9-17-8-10/h3-9H,1-2H2/b11-5+
InChIKeyLEJPKWXGQFBXRX-VZUCSPMQSA-N
XLogP3.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine?
The IUPAC name of 5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine (CID 6539805) is 5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine.
What is the SMILES notation for 5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine?
The canonical SMILES for 5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine is Fc1ccc2c(c1)CC/C2=C\c1cncnc1.
What is the InChIKey of 5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine?
The InChIKey is LEJPKWXGQFBXRX-VZUCSPMQSA-N. The full InChI is InChI=1S/C14H11FN2/c15-13-3-4-14-11(1-2-12(14)6-13)5-10-7-16-9-17-8-10/h3-9H,1-2H2/b11-5+.
What are the key properties of 5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine?
5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine has a molecular weight of 226.25 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine is sourced from PubChem (CID 6539805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).