3-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine

C10H13FN2 — CID 175565397

IUPAC3-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine
SMILESFC1=CC=C(C2=CCNCC2)NC1
InChIInChI=1S/C10H13FN2/c11-9-1-2-10(13-7-9)8-3-5-12-6-4-8/h1-3,12-13H,4-7H2
InChIKeyWGLWCGUFXMFQRB-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.25
Rot. Bonds1

About 3-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine

3-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine (PubChem CID 175565397) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name3-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine
PubChem CID175565397
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name3-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine
SMILESFC1=CC=C(C2=CCNCC2)NC1
InChIInChI=1S/C10H13FN2/c11-9-1-2-10(13-7-9)8-3-5-12-6-4-8/h1-3,12-13H,4-7H2
InChIKeyWGLWCGUFXMFQRB-UHFFFAOYSA-N
XLogP1.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine?
The IUPAC name of 3-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine (CID 175565397) is 3-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine.
What is the SMILES notation for 3-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine?
The canonical SMILES for 3-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine is FC1=CC=C(C2=CCNCC2)NC1.
What is the InChIKey of 3-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine?
The InChIKey is WGLWCGUFXMFQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c11-9-1-2-10(13-7-9)8-3-5-12-6-4-8/h1-3,12-13H,4-7H2.
What are the key properties of 3-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine?
3-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine has a molecular weight of 180.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine is sourced from PubChem (CID 175565397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).