2-(1-fluoroethyl)-5-methyl-2,3-dihydropyridine

C8H12FN — CID 143887758

IUPAC2-(1-fluoroethyl)-5-methyl-2,3-dihydropyridine
SMILESCC1=CCC(C(C)F)N=C1
InChIInChI=1S/C8H12FN/c1-6-3-4-8(7(2)9)10-5-6/h3,5,7-8H,4H2,1-2H3
InChIKeyGXNZYJYIWYLFIJ-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.13
Rot. Bonds1

About 2-(1-fluoroethyl)-5-methyl-2,3-dihydropyridine

2-(1-fluoroethyl)-5-methyl-2,3-dihydropyridine (PubChem CID 143887758) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-5-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name2-(1-fluoroethyl)-5-methyl-2,3-dihydropyridine
PubChem CID143887758
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name2-(1-fluoroethyl)-5-methyl-2,3-dihydropyridine
SMILESCC1=CCC(C(C)F)N=C1
InChIInChI=1S/C8H12FN/c1-6-3-4-8(7(2)9)10-5-6/h3,5,7-8H,4H2,1-2H3
InChIKeyGXNZYJYIWYLFIJ-UHFFFAOYSA-N
XLogP2.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-fluoroethyl)-3H-pyridin-1-ium
CID 57261287
(2S)-5-fluoro-2-methyl-2,3-dihydropyridine
CID 67991616
3-Fluoro-5-methyl-2,3-dihydropyridine
CID 68083425
5-Fluoro-2-methyl-2,3-dihydropyridine
CID 77393448
(2S)-3-ethyl-6-fluoro-2,5-dimethyl-2,3-dihydropyridine
CID 89091133
2-Ethyl-5-fluoro-2,3-dihydropyridine
CID 89742590
5-(Fluoromethyl)-2,3-dihydropyridine
CID 91586343
2,5-Dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 123496912
3-fluoro-2,2,5-trimethyl-3H-pyridine
CID 123896833
(2E)-3-ethenyl-2-ethylidene-3-fluoro-N-methylpent-4-en-1-imine
CID 129196407
(Z)-2-fluoro-N,4-dimethylhex-4-en-1-imine
CID 129299980
5-(1,1-Difluoroethyl)-2-propyl-2,3-dihydropyridine
CID 135197188

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-5-methyl-2,3-dihydropyridine?
The IUPAC name of 2-(1-fluoroethyl)-5-methyl-2,3-dihydropyridine (CID 143887758) is 2-(1-fluoroethyl)-5-methyl-2,3-dihydropyridine.
What is the SMILES notation for 2-(1-fluoroethyl)-5-methyl-2,3-dihydropyridine?
The canonical SMILES for 2-(1-fluoroethyl)-5-methyl-2,3-dihydropyridine is CC1=CCC(C(C)F)N=C1.
What is the InChIKey of 2-(1-fluoroethyl)-5-methyl-2,3-dihydropyridine?
The InChIKey is GXNZYJYIWYLFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-6-3-4-8(7(2)9)10-5-6/h3,5,7-8H,4H2,1-2H3.
What are the key properties of 2-(1-fluoroethyl)-5-methyl-2,3-dihydropyridine?
2-(1-fluoroethyl)-5-methyl-2,3-dihydropyridine has a molecular weight of 141.19 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-5-methyl-2,3-dihydropyridine is sourced from PubChem (CID 143887758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).