5-[(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine

C14H11FN2 — CID 68964473

IUPAC5-[(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine
SMILESFc1ccc2c(c1)C(=Cc1cncnc1)CC2
InChIInChI=1S/C14H11FN2/c15-13-4-3-11-1-2-12(14(11)6-13)5-10-7-16-9-17-8-10/h3-9H,1-2H2
InChIKeyJYMKEFWEOVLOFG-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.10
Rot. Bonds1

About 5-[(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine

5-[(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine (PubChem CID 68964473) has the molecular formula C14H11FN2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 5-[(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine.

Molecular Properties

Compound Name5-[(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine
PubChem CID68964473
Molecular FormulaC14H11FN2
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name5-[(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine
SMILESFc1ccc2c(c1)C(=Cc1cncnc1)CC2
InChIInChI=1S/C14H11FN2/c15-13-4-3-11-1-2-12(14(11)6-13)5-10-7-16-9-17-8-10/h3-9H,1-2H2
InChIKeyJYMKEFWEOVLOFG-UHFFFAOYSA-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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Related Compounds

5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole
CID 6540038
(2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-methylacetamide
CID 10857351
(2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 10977718
3-[(E)-(5-chloro-2,3-dihydroinden-1-ylidene)methyl]pyridine
CID 6539765
6-fluoro-2-[(1-methylpyrazol-4-yl)methylidene]-3H-inden-1-one
CID 71978839
7-fluoro-1-methyl-3,4-dihydroisoquinoline
CID 18613806
3-[(5-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenol
CID 68937227
(2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]-7-fluoro-3,4-dihydronaphthalen-1-one
CID 134612066
3-[(4-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyridine
CID 68962049
4-[(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]quinoline
CID 68961822
4-[(Z)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine
CID 6539795
(2Z)-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N,N-dimethylacetamide
CID 70261136

Frequently Asked Questions

What is the IUPAC name of 5-[(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine?
The IUPAC name of 5-[(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine (CID 68964473) is 5-[(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine.
What is the SMILES notation for 5-[(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine?
The canonical SMILES for 5-[(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine is Fc1ccc2c(c1)C(=Cc1cncnc1)CC2.
What is the InChIKey of 5-[(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine?
The InChIKey is JYMKEFWEOVLOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2/c15-13-4-3-11-1-2-12(14(11)6-13)5-10-7-16-9-17-8-10/h3-9H,1-2H2.
What are the key properties of 5-[(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine?
5-[(6-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-[(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine is sourced from PubChem (CID 68964473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).