3-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]sulfinylnaphthalen-2-ol

C22H14F3NO3S — CID 118720472

IUPAC3-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]sulfinylnaphthalen-2-ol
SMILESO=S(c1ccc(OC(F)(F)F)cc1)c1c(O)c(-c2cccnc2)cc2ccccc12
InChIInChI=1S/C22H14F3NO3S/c23-22(24,25)29-16-7-9-17(10-8-16)30(28)21-18-6-2-1-4-14(18)12-19(20(21)27)15-5-3-11-26-13-15/h1-13,27H
InChIKeyBNLVGBADEUVSQI-UHFFFAOYSA-N
MW429.42 g/mol
LogP5.67
Rot. Bonds4

About 3-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]sulfinylnaphthalen-2-ol

3-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]sulfinylnaphthalen-2-ol (PubChem CID 118720472) has the molecular formula C22H14F3NO3S and a molecular weight of 429.42 g/mol. Its IUPAC name is 3-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]sulfinylnaphthalen-2-ol.

Molecular Properties

Compound Name3-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]sulfinylnaphthalen-2-ol
PubChem CID118720472
Molecular FormulaC22H14F3NO3S
Molecular Weight429.42 g/mol
Exact Mass429.06
IUPAC Name3-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]sulfinylnaphthalen-2-ol
SMILESO=S(c1ccc(OC(F)(F)F)cc1)c1c(O)c(-c2cccnc2)cc2ccccc12
InChIInChI=1S/C22H14F3NO3S/c23-22(24,25)29-16-7-9-17(10-8-16)30(28)21-18-6-2-1-4-14(18)12-19(20(21)27)15-5-3-11-26-13-15/h1-13,27H
InChIKeyBNLVGBADEUVSQI-UHFFFAOYSA-N
XLogP5.67
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.42
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxy-3-pyridin-3-ylnaphthalen-1-yl)sulfinylbenzonitrile
CID 118720478
1-(2-methoxyphenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol
CID 118720466
(3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol
CID 25129467
pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63895689
9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene
CID 170391358
3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine
CID 88551707
2-(2-pyridin-3-ylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 30867745
5-pyridin-3-yl-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]indole-2-carboxylic acid
CID 71212145
3-[difluoro-[(2-pyridin-3-ylphenyl)methoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 66849454
2-[2-pyridin-3-yl-7-(trifluoromethoxy)quinazolin-4-yl]oxybenzamide
CID 71273564
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(trifluoromethoxy)benzamide
CID 10298544
2-phenyl-N-(pyridin-3-ylmethyl)-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine
CID 4602862

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]sulfinylnaphthalen-2-ol?
The IUPAC name of 3-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]sulfinylnaphthalen-2-ol (CID 118720472) is 3-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]sulfinylnaphthalen-2-ol.
What is the SMILES notation for 3-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]sulfinylnaphthalen-2-ol?
The canonical SMILES for 3-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]sulfinylnaphthalen-2-ol is O=S(c1ccc(OC(F)(F)F)cc1)c1c(O)c(-c2cccnc2)cc2ccccc12.
What is the InChIKey of 3-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]sulfinylnaphthalen-2-ol?
The InChIKey is BNLVGBADEUVSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3NO3S/c23-22(24,25)29-16-7-9-17(10-8-16)30(28)21-18-6-2-1-4-14(18)12-19(20(21)27)15-5-3-11-26-13-15/h1-13,27H.
What are the key properties of 3-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]sulfinylnaphthalen-2-ol?
3-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]sulfinylnaphthalen-2-ol has a molecular weight of 429.42 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]sulfinylnaphthalen-2-ol is sourced from PubChem (CID 118720472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).