5-[1-(3-fluorophenyl)ethenyl]-2-methylpyrimidine

C13H11FN2 — CID 177142882

IUPAC5-[1-(3-fluorophenyl)ethenyl]-2-methylpyrimidine
SMILESC=C(c1cnc(C)nc1)c1cccc(F)c1
InChIInChI=1S/C13H11FN2/c1-9(11-4-3-5-13(14)6-11)12-7-15-10(2)16-8-12/h3-8H,1H2,2H3
InChIKeyQSQLZZSKEAQLHS-UHFFFAOYSA-N
MW214.24 g/mol
LogP2.99
Rot. Bonds2

About 5-[1-(3-fluorophenyl)ethenyl]-2-methylpyrimidine

5-[1-(3-fluorophenyl)ethenyl]-2-methylpyrimidine (PubChem CID 177142882) has the molecular formula C13H11FN2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 5-[1-(3-fluorophenyl)ethenyl]-2-methylpyrimidine.

Molecular Properties

Compound Name5-[1-(3-fluorophenyl)ethenyl]-2-methylpyrimidine
PubChem CID177142882
Molecular FormulaC13H11FN2
Molecular Weight214.24 g/mol
Exact Mass214.09
IUPAC Name5-[1-(3-fluorophenyl)ethenyl]-2-methylpyrimidine
SMILESC=C(c1cnc(C)nc1)c1cccc(F)c1
InChIInChI=1S/C13H11FN2/c1-9(11-4-3-5-13(14)6-11)12-7-15-10(2)16-8-12/h3-8H,1H2,2H3
InChIKeyQSQLZZSKEAQLHS-UHFFFAOYSA-N
XLogP2.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-2-methylprop-2-en-1-one
CID 11159505
(3-fluorophenyl)-(2-methylpyrimidin-4-yl)methanone
CID 115529848
2-[1-(3-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 46928619
methyl 3-fluorobenzoate
CID 521184
1,3-difluorobenzene;methanol
CID 144994633
(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methanone
CID 106877008
6-[2-(3-fluorophenyl)-2-hydroxyethenyl]pyridine-3-carbonitrile
CID 139623117
(E)-3-(3-fluorophenyl)-N-prop-1-en-2-ylbut-2-en-1-imine
CID 143736300
N-[2-[1-(3-fluorophenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide
CID 175305884
2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine
CID 134472353
3-fluorobenzoyl bromide
CID 20822510
6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61318981

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-fluorophenyl)ethenyl]-2-methylpyrimidine?
The IUPAC name of 5-[1-(3-fluorophenyl)ethenyl]-2-methylpyrimidine (CID 177142882) is 5-[1-(3-fluorophenyl)ethenyl]-2-methylpyrimidine.
What is the SMILES notation for 5-[1-(3-fluorophenyl)ethenyl]-2-methylpyrimidine?
The canonical SMILES for 5-[1-(3-fluorophenyl)ethenyl]-2-methylpyrimidine is C=C(c1cnc(C)nc1)c1cccc(F)c1.
What is the InChIKey of 5-[1-(3-fluorophenyl)ethenyl]-2-methylpyrimidine?
The InChIKey is QSQLZZSKEAQLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2/c1-9(11-4-3-5-13(14)6-11)12-7-15-10(2)16-8-12/h3-8H,1H2,2H3.
What are the key properties of 5-[1-(3-fluorophenyl)ethenyl]-2-methylpyrimidine?
5-[1-(3-fluorophenyl)ethenyl]-2-methylpyrimidine has a molecular weight of 214.24 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-fluorophenyl)ethenyl]-2-methylpyrimidine is sourced from PubChem (CID 177142882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).