5-ethyl-2-fluoro-3,4-dihydropyridine

C7H10FN — CID 155485405

IUPAC5-ethyl-2-fluoro-3,4-dihydropyridine
SMILESCCC1=CN=C(F)CC1
InChIInChI=1S/C7H10FN/c1-2-6-3-4-7(8)9-5-6/h5H,2-4H2,1H3
InChIKeyQQMYFUGDFPFNQR-UHFFFAOYSA-N
MW127.16 g/mol
LogP2.44
Rot. Bonds1

About 5-ethyl-2-fluoro-3,4-dihydropyridine

5-ethyl-2-fluoro-3,4-dihydropyridine (PubChem CID 155485405) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 5-ethyl-2-fluoro-3,4-dihydropyridine.

Molecular Properties

Compound Name5-ethyl-2-fluoro-3,4-dihydropyridine
PubChem CID155485405
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name5-ethyl-2-fluoro-3,4-dihydropyridine
SMILESCCC1=CN=C(F)CC1
InChIInChI=1S/C7H10FN/c1-2-6-3-4-7(8)9-5-6/h5H,2-4H2,1H3
InChIKeyQQMYFUGDFPFNQR-UHFFFAOYSA-N
XLogP2.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Ethyl-3,4-dihydropyridine
CID 14979265
5-Methyl-2-(trifluoromethyl)-3,4-dihydropyridine
CID 68046822
3-Fluoro-5-methyl-3,4-dihydropyridine
CID 89642561
4-Fluoro-5-methyl-3,4-dihydropyridine
CID 90764020
2-Methyl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 142966293
N-[(Z)-2-methylbut-1-enyl]ethanimidoyl fluoride
CID 143494963
2-Fluoro-5-methyl-3,4-dihydropyridine
CID 143657713
5-Fluoro-2-methyl-3,4-dihydropyridine
CID 143745504
2-(Difluoromethyl)-5-methyl-3,4-dihydropyridine
CID 156046916
3-Fluoro-5-propan-2-yl-3,4-dihydropyridine
CID 166850650
5-Ethyl-4-fluoro-3-methyl-3,4-dihydropyridine
CID 167009176
N-[(E)-2-fluoro-3-methylidenehept-1-enyl]pentan-2-imine
CID 168972730

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-fluoro-3,4-dihydropyridine?
The IUPAC name of 5-ethyl-2-fluoro-3,4-dihydropyridine (CID 155485405) is 5-ethyl-2-fluoro-3,4-dihydropyridine.
What is the SMILES notation for 5-ethyl-2-fluoro-3,4-dihydropyridine?
The canonical SMILES for 5-ethyl-2-fluoro-3,4-dihydropyridine is CCC1=CN=C(F)CC1.
What is the InChIKey of 5-ethyl-2-fluoro-3,4-dihydropyridine?
The InChIKey is QQMYFUGDFPFNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-2-6-3-4-7(8)9-5-6/h5H,2-4H2,1H3.
What are the key properties of 5-ethyl-2-fluoro-3,4-dihydropyridine?
5-ethyl-2-fluoro-3,4-dihydropyridine has a molecular weight of 127.16 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-fluoro-3,4-dihydropyridine is sourced from PubChem (CID 155485405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).