4-(2-hydroxy-3-pyridin-3-ylnaphthalen-1-yl)sulfinylbenzonitrile

C22H14N2O2S — CID 118720478

IUPAC4-(2-hydroxy-3-pyridin-3-ylnaphthalen-1-yl)sulfinylbenzonitrile
SMILESN#Cc1ccc(S(=O)c2c(O)c(-c3cccnc3)cc3ccccc23)cc1
InChIInChI=1S/C22H14N2O2S/c23-13-15-7-9-18(10-8-15)27(26)22-19-6-2-1-4-16(19)12-20(21(22)25)17-5-3-11-24-14-17/h1-12,14,25H
InChIKeyWCWACTFHCNTRLH-UHFFFAOYSA-N
MW370.43 g/mol
LogP4.65
Rot. Bonds3

About 4-(2-hydroxy-3-pyridin-3-ylnaphthalen-1-yl)sulfinylbenzonitrile

4-(2-hydroxy-3-pyridin-3-ylnaphthalen-1-yl)sulfinylbenzonitrile (PubChem CID 118720478) has the molecular formula C22H14N2O2S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-(2-hydroxy-3-pyridin-3-ylnaphthalen-1-yl)sulfinylbenzonitrile.

Molecular Properties

Compound Name4-(2-hydroxy-3-pyridin-3-ylnaphthalen-1-yl)sulfinylbenzonitrile
PubChem CID118720478
Molecular FormulaC22H14N2O2S
Molecular Weight370.43 g/mol
Exact Mass370.08
IUPAC Name4-(2-hydroxy-3-pyridin-3-ylnaphthalen-1-yl)sulfinylbenzonitrile
SMILESN#Cc1ccc(S(=O)c2c(O)c(-c3cccnc3)cc3ccccc23)cc1
InChIInChI=1S/C22H14N2O2S/c23-13-15-7-9-18(10-8-15)27(26)22-19-6-2-1-4-16(19)12-20(21(22)25)17-5-3-11-24-14-17/h1-12,14,25H
InChIKeyWCWACTFHCNTRLH-UHFFFAOYSA-N
XLogP4.65
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]sulfinylnaphthalen-2-ol
CID 118720472
1-(2-methoxyphenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol
CID 118720466
2-pyridin-3-ylnaphthalene-1-carbonitrile
CID 71514388
3-bromo-4-hydroxy-5-pyridin-3-ylbenzonitrile
CID 167329027
9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazole-3-carbonitrile
CID 137388859
4-phenanthren-9-ylbenzonitrile
CID 89027020
4-[10-[4-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]benzonitrile
CID 171588857
3-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-2-[4-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]naphthalene-1-carbonitrile
CID 158294530
9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
CID 166785139
4-[6-dibenzothiophen-2-yl-2-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile
CID 130262648
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
CID 138579059
4-[9-[5-cyano-2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridin-3-ylphenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 166785159

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-3-pyridin-3-ylnaphthalen-1-yl)sulfinylbenzonitrile?
The IUPAC name of 4-(2-hydroxy-3-pyridin-3-ylnaphthalen-1-yl)sulfinylbenzonitrile (CID 118720478) is 4-(2-hydroxy-3-pyridin-3-ylnaphthalen-1-yl)sulfinylbenzonitrile.
What is the SMILES notation for 4-(2-hydroxy-3-pyridin-3-ylnaphthalen-1-yl)sulfinylbenzonitrile?
The canonical SMILES for 4-(2-hydroxy-3-pyridin-3-ylnaphthalen-1-yl)sulfinylbenzonitrile is N#Cc1ccc(S(=O)c2c(O)c(-c3cccnc3)cc3ccccc23)cc1.
What is the InChIKey of 4-(2-hydroxy-3-pyridin-3-ylnaphthalen-1-yl)sulfinylbenzonitrile?
The InChIKey is WCWACTFHCNTRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O2S/c23-13-15-7-9-18(10-8-15)27(26)22-19-6-2-1-4-16(19)12-20(21(22)25)17-5-3-11-24-14-17/h1-12,14,25H.
What are the key properties of 4-(2-hydroxy-3-pyridin-3-ylnaphthalen-1-yl)sulfinylbenzonitrile?
4-(2-hydroxy-3-pyridin-3-ylnaphthalen-1-yl)sulfinylbenzonitrile has a molecular weight of 370.43 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-3-pyridin-3-ylnaphthalen-1-yl)sulfinylbenzonitrile is sourced from PubChem (CID 118720478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).