5-(4-fluorophenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol

C20H16FNO — CID 25034657

IUPAC5-(4-fluorophenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol
SMILESOC1(c2ccncc2)CCc2cc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C20H16FNO/c21-18-4-1-14(2-5-18)15-3-6-19-16(13-15)7-10-20(19,23)17-8-11-22-12-9-17/h1-6,8-9,11-13,23H,7,10H2
InChIKeyNPTCBAGFEZBWJN-UHFFFAOYSA-N
MW305.35 g/mol
LogP4.07
Rot. Bonds2

About 5-(4-fluorophenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol

5-(4-fluorophenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol (PubChem CID 25034657) has the molecular formula C20H16FNO and a molecular weight of 305.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol
PubChem CID25034657
Molecular FormulaC20H16FNO
Molecular Weight305.35 g/mol
Exact Mass305.12
IUPAC Name5-(4-fluorophenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol
SMILESOC1(c2ccncc2)CCc2cc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C20H16FNO/c21-18-4-1-14(2-5-18)15-3-6-19-16(13-15)7-10-20(19,23)17-8-11-22-12-9-17/h1-6,8-9,11-13,23H,7,10H2
InChIKeyNPTCBAGFEZBWJN-UHFFFAOYSA-N
XLogP4.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol?
The IUPAC name of 5-(4-fluorophenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol (CID 25034657) is 5-(4-fluorophenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-(4-fluorophenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-(4-fluorophenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol is OC1(c2ccncc2)CCc2cc(-c3ccc(F)cc3)ccc21.
What is the InChIKey of 5-(4-fluorophenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol?
The InChIKey is NPTCBAGFEZBWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO/c21-18-4-1-14(2-5-18)15-3-6-19-16(13-15)7-10-20(19,23)17-8-11-22-12-9-17/h1-6,8-9,11-13,23H,7,10H2.
What are the key properties of 5-(4-fluorophenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol?
5-(4-fluorophenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol has a molecular weight of 305.35 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 25034657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).