2-(5-fluoro-2-pyridinyl)-2-pyrazol-1-yl-1,1-dipyridin-3-ylethanol

C20H16FN5O — CID 66962323

IUPAC2-(5-fluoro-2-pyridinyl)-2-pyrazol-1-yl-1,1-dipyridin-3-ylethanol
SMILESOC(c1cccnc1)(c1cccnc1)C(c1ccc(F)cn1)n1cccn1
InChIInChI=1S/C20H16FN5O/c21-17-6-7-18(24-14-17)19(26-11-3-10-25-26)20(27,15-4-1-8-22-12-15)16-5-2-9-23-13-16/h1-14,19,27H
InChIKeyTWYAICIZUXSLTN-UHFFFAOYSA-N
MW361.38 g/mol
LogP2.73
Rot. Bonds5

About 2-(5-fluoro-2-pyridinyl)-2-pyrazol-1-yl-1,1-dipyridin-3-ylethanol

2-(5-fluoro-2-pyridinyl)-2-pyrazol-1-yl-1,1-dipyridin-3-ylethanol (PubChem CID 66962323) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-2-pyrazol-1-yl-1,1-dipyridin-3-ylethanol.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-2-pyrazol-1-yl-1,1-dipyridin-3-ylethanol
PubChem CID66962323
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name2-(5-fluoro-2-pyridinyl)-2-pyrazol-1-yl-1,1-dipyridin-3-ylethanol
SMILESOC(c1cccnc1)(c1cccnc1)C(c1ccc(F)cn1)n1cccn1
InChIInChI=1S/C20H16FN5O/c21-17-6-7-18(24-14-17)19(26-11-3-10-25-26)20(27,15-4-1-8-22-12-15)16-5-2-9-23-13-16/h1-14,19,27H
InChIKeyTWYAICIZUXSLTN-UHFFFAOYSA-N
XLogP2.73
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-2-pyrazol-1-yl-1,1-dipyridin-3-ylethanol?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-2-pyrazol-1-yl-1,1-dipyridin-3-ylethanol (CID 66962323) is 2-(5-fluoro-2-pyridinyl)-2-pyrazol-1-yl-1,1-dipyridin-3-ylethanol.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-2-pyrazol-1-yl-1,1-dipyridin-3-ylethanol?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-2-pyrazol-1-yl-1,1-dipyridin-3-ylethanol is OC(c1cccnc1)(c1cccnc1)C(c1ccc(F)cn1)n1cccn1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-2-pyrazol-1-yl-1,1-dipyridin-3-ylethanol?
The InChIKey is TWYAICIZUXSLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c21-17-6-7-18(24-14-17)19(26-11-3-10-25-26)20(27,15-4-1-8-22-12-15)16-5-2-9-23-13-16/h1-14,19,27H.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-2-pyrazol-1-yl-1,1-dipyridin-3-ylethanol?
2-(5-fluoro-2-pyridinyl)-2-pyrazol-1-yl-1,1-dipyridin-3-ylethanol has a molecular weight of 361.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-2-pyrazol-1-yl-1,1-dipyridin-3-ylethanol is sourced from PubChem (CID 66962323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).