2-[6-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]oxyethanol

C17H17F2N3O2 — CID 86817551

IUPAC2-[6-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]oxyethanol
SMILESOCCOc1cncc(N2CC=C(c3c(F)cccc3F)CC2)n1
InChIInChI=1S/C17H17F2N3O2/c18-13-2-1-3-14(19)17(13)12-4-6-22(7-5-12)15-10-20-11-16(21-15)24-9-8-23/h1-4,10-11,23H,5-9H2
InChIKeyBPRCORAJXUZMRM-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.42
Rot. Bonds5

About 2-[6-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]oxyethanol

2-[6-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]oxyethanol (PubChem CID 86817551) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[6-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[6-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]oxyethanol
PubChem CID86817551
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name2-[6-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]oxyethanol
SMILESOCCOc1cncc(N2CC=C(c3c(F)cccc3F)CC2)n1
InChIInChI=1S/C17H17F2N3O2/c18-13-2-1-3-14(19)17(13)12-4-6-22(7-5-12)15-10-20-11-16(21-15)24-9-8-23/h1-4,10-11,23H,5-9H2
InChIKeyBPRCORAJXUZMRM-UHFFFAOYSA-N
XLogP2.42
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]oxyethanol?
The IUPAC name of 2-[6-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]oxyethanol (CID 86817551) is 2-[6-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]oxyethanol.
What is the SMILES notation for 2-[6-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]oxyethanol?
The canonical SMILES for 2-[6-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]oxyethanol is OCCOc1cncc(N2CC=C(c3c(F)cccc3F)CC2)n1.
What is the InChIKey of 2-[6-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]oxyethanol?
The InChIKey is BPRCORAJXUZMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c18-13-2-1-3-14(19)17(13)12-4-6-22(7-5-12)15-10-20-11-16(21-15)24-9-8-23/h1-4,10-11,23H,5-9H2.
What are the key properties of 2-[6-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]oxyethanol?
2-[6-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]oxyethanol has a molecular weight of 333.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]oxyethanol is sourced from PubChem (CID 86817551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).