3-(3-fluoro-2-pyridinyl)-1-[3-(3-fluoro-2-pyridinyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol

C30H18F2N2O2 — CID 136901811

IUPAC3-(3-fluoro-2-pyridinyl)-1-[3-(3-fluoro-2-pyridinyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
SMILESOc1c(-c2ncccc2F)cc2ccccc2c1-c1c(O)c(-c2ncccc2F)cc2ccccc12
InChIInChI=1S/C30H18F2N2O2/c31-23-11-5-13-33-27(23)21-15-17-7-1-3-9-19(17)25(29(21)35)26-20-10-4-2-8-18(20)16-22(30(26)36)28-24(32)12-6-14-34-28/h1-16,35-36H
InChIKeySHZRTDABTODFLJ-UHFFFAOYSA-N
MW476.48 g/mol
LogP7.47
Rot. Bonds3

About 3-(3-fluoro-2-pyridinyl)-1-[3-(3-fluoro-2-pyridinyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol

3-(3-fluoro-2-pyridinyl)-1-[3-(3-fluoro-2-pyridinyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol (PubChem CID 136901811) has the molecular formula C30H18F2N2O2 and a molecular weight of 476.48 g/mol. Its IUPAC name is 3-(3-fluoro-2-pyridinyl)-1-[3-(3-fluoro-2-pyridinyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol.

Molecular Properties

Compound Name3-(3-fluoro-2-pyridinyl)-1-[3-(3-fluoro-2-pyridinyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
PubChem CID136901811
Molecular FormulaC30H18F2N2O2
Molecular Weight476.48 g/mol
Exact Mass476.13
IUPAC Name3-(3-fluoro-2-pyridinyl)-1-[3-(3-fluoro-2-pyridinyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
SMILESOc1c(-c2ncccc2F)cc2ccccc2c1-c1c(O)c(-c2ncccc2F)cc2ccccc12
InChIInChI=1S/C30H18F2N2O2/c31-23-11-5-13-33-27(23)21-15-17-7-1-3-9-19(17)25(29(21)35)26-20-10-4-2-8-18(20)16-22(30(26)36)28-24(32)12-6-14-34-28/h1-16,35-36H
InChIKeySHZRTDABTODFLJ-UHFFFAOYSA-N
XLogP7.47
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.48
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Pyridin-3-ylnaphthalen-2-ol
CID 11514074
2-Fluoro-4-[5-(pyridin-4-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]phenol
CID 25033811
6-[4-(Pyridin-4-ylmethyl)phenyl]naphthalen-2-ol
CID 46901929
2-Fluoro-4-[5-(pyridin-4-yl)-7,8-dihydronaphthalen-2-yl]phenol
CID 25033805
1-[[Ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol
CID 2396090
Dibenzo[f,h]quinolin-7-ol
CID 219962
2-(3-Pyridylmethyl)-1-naphthol
CID 15617838
6-(3-Hydroxyphenyl)-1-(pyridin-3-yl)-2-naphthol
CID 24970356
2-Fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol;hydrobromide
CID 25033804
2-Fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol;hydrobromide
CID 25033810
6-(3-Hydroxyphenyl)-1-(pyridin-4-yl)-2-naphthol
CID 135955190
3-(4-Phenyl-6-pyridin-4-yl-2-pyridinyl)phenol
CID 46861757

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-pyridinyl)-1-[3-(3-fluoro-2-pyridinyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol?
The IUPAC name of 3-(3-fluoro-2-pyridinyl)-1-[3-(3-fluoro-2-pyridinyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol (CID 136901811) is 3-(3-fluoro-2-pyridinyl)-1-[3-(3-fluoro-2-pyridinyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol.
What is the SMILES notation for 3-(3-fluoro-2-pyridinyl)-1-[3-(3-fluoro-2-pyridinyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol?
The canonical SMILES for 3-(3-fluoro-2-pyridinyl)-1-[3-(3-fluoro-2-pyridinyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol is Oc1c(-c2ncccc2F)cc2ccccc2c1-c1c(O)c(-c2ncccc2F)cc2ccccc12.
What is the InChIKey of 3-(3-fluoro-2-pyridinyl)-1-[3-(3-fluoro-2-pyridinyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol?
The InChIKey is SHZRTDABTODFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18F2N2O2/c31-23-11-5-13-33-27(23)21-15-17-7-1-3-9-19(17)25(29(21)35)26-20-10-4-2-8-18(20)16-22(30(26)36)28-24(32)12-6-14-34-28/h1-16,35-36H.
What are the key properties of 3-(3-fluoro-2-pyridinyl)-1-[3-(3-fluoro-2-pyridinyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol?
3-(3-fluoro-2-pyridinyl)-1-[3-(3-fluoro-2-pyridinyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol has a molecular weight of 476.48 g/mol, XLogP of 7.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-pyridinyl)-1-[3-(3-fluoro-2-pyridinyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol is sourced from PubChem (CID 136901811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).