4-fluoro-1-pyridin-3-yl-2,3-dihydroinden-1-ol

C14H12FNO — CID 83068934

IUPAC4-fluoro-1-pyridin-3-yl-2,3-dihydroinden-1-ol
SMILESOC1(c2cccnc2)CCc2c(F)cccc21
InChIInChI=1S/C14H12FNO/c15-13-5-1-4-12-11(13)6-7-14(12,17)10-3-2-8-16-9-10/h1-5,8-9,17H,6-7H2
InChIKeyBBVBNFPIIJCITC-UHFFFAOYSA-N
MW229.25 g/mol
LogP2.40
Rot. Bonds1

About 4-fluoro-1-pyridin-3-yl-2,3-dihydroinden-1-ol

4-fluoro-1-pyridin-3-yl-2,3-dihydroinden-1-ol (PubChem CID 83068934) has the molecular formula C14H12FNO and a molecular weight of 229.25 g/mol. Its IUPAC name is 4-fluoro-1-pyridin-3-yl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name4-fluoro-1-pyridin-3-yl-2,3-dihydroinden-1-ol
PubChem CID83068934
Molecular FormulaC14H12FNO
Molecular Weight229.25 g/mol
Exact Mass229.09
IUPAC Name4-fluoro-1-pyridin-3-yl-2,3-dihydroinden-1-ol
SMILESOC1(c2cccnc2)CCc2c(F)cccc21
InChIInChI=1S/C14H12FNO/c15-13-5-1-4-12-11(13)6-7-14(12,17)10-3-2-8-16-9-10/h1-5,8-9,17H,6-7H2
InChIKeyBBVBNFPIIJCITC-UHFFFAOYSA-N
XLogP2.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-pyridin-3-yl-2,3-dihydroinden-1-ol?
The IUPAC name of 4-fluoro-1-pyridin-3-yl-2,3-dihydroinden-1-ol (CID 83068934) is 4-fluoro-1-pyridin-3-yl-2,3-dihydroinden-1-ol.
What is the SMILES notation for 4-fluoro-1-pyridin-3-yl-2,3-dihydroinden-1-ol?
The canonical SMILES for 4-fluoro-1-pyridin-3-yl-2,3-dihydroinden-1-ol is OC1(c2cccnc2)CCc2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-pyridin-3-yl-2,3-dihydroinden-1-ol?
The InChIKey is BBVBNFPIIJCITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO/c15-13-5-1-4-12-11(13)6-7-14(12,17)10-3-2-8-16-9-10/h1-5,8-9,17H,6-7H2.
What are the key properties of 4-fluoro-1-pyridin-3-yl-2,3-dihydroinden-1-ol?
4-fluoro-1-pyridin-3-yl-2,3-dihydroinden-1-ol has a molecular weight of 229.25 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-pyridin-3-yl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 83068934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).