2-amino-4-(3-chloro-4-hydroxyphenyl)-6-(2-fluorophenyl)sulfanylpyridine-3,5-dicarbonitrile

C19H10ClFN4OS — CID 135520150

IUPAC2-amino-4-(3-chloro-4-hydroxyphenyl)-6-(2-fluorophenyl)sulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Sc2ccccc2F)c(C#N)c1-c1ccc(O)c(Cl)c1
InChIInChI=1S/C19H10ClFN4OS/c20-13-7-10(5-6-15(13)26)17-11(8-22)18(24)25-19(12(17)9-23)27-16-4-2-1-3-14(16)21/h1-7,26H,(H2,24,25)
InChIKeyYGAFINDXZDAQIS-UHFFFAOYSA-N
MW396.83 g/mol
LogP4.72
Rot. Bonds3

About 2-amino-4-(3-chloro-4-hydroxyphenyl)-6-(2-fluorophenyl)sulfanylpyridine-3,5-dicarbonitrile

2-amino-4-(3-chloro-4-hydroxyphenyl)-6-(2-fluorophenyl)sulfanylpyridine-3,5-dicarbonitrile (PubChem CID 135520150) has the molecular formula C19H10ClFN4OS and a molecular weight of 396.83 g/mol. Its IUPAC name is 2-amino-4-(3-chloro-4-hydroxyphenyl)-6-(2-fluorophenyl)sulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-chloro-4-hydroxyphenyl)-6-(2-fluorophenyl)sulfanylpyridine-3,5-dicarbonitrile
PubChem CID135520150
Molecular FormulaC19H10ClFN4OS
Molecular Weight396.83 g/mol
Exact Mass396.02
IUPAC Name2-amino-4-(3-chloro-4-hydroxyphenyl)-6-(2-fluorophenyl)sulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Sc2ccccc2F)c(C#N)c1-c1ccc(O)c(Cl)c1
InChIInChI=1S/C19H10ClFN4OS/c20-13-7-10(5-6-15(13)26)17-11(8-22)18(24)25-19(12(17)9-23)27-16-4-2-1-3-14(16)21/h1-7,26H,(H2,24,25)
InChIKeyYGAFINDXZDAQIS-UHFFFAOYSA-N
XLogP4.72
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-(4-chlorophenyl)-6-(2-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile
CID 24796393
2-amino-4-[4-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 11349923
2-amino-4-[3-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 11361402
2-amino-6-methylsulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile
CID 760984
2-amino-4-(4-methylphenyl)-6-(4-methylphenyl)sulfanylpyridine-3,5-dicarbonitrile
CID 102234389
2-chloro-6-(2-fluorophenyl)sulfanylbenzonitrile
CID 60677671
2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-hydroxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 135980988
2-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 58739814
2-amino-4-(2-chloro-6-fluorophenyl)-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile
CID 3529548
2-amino-6-benzylsulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile
CID 28621968
4-[[6-amino-3,5-dicyano-4-(3,4-dihydroxyphenyl)-2-pyridinyl]sulfanyl]butane-1-sulfonamide
CID 135980930
2-amino-4-(4-chlorophenyl)-6-(2-hydroxypropylsulfanyl)pyridine-3,5-dicarbonitrile
CID 58739701

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-chloro-4-hydroxyphenyl)-6-(2-fluorophenyl)sulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(3-chloro-4-hydroxyphenyl)-6-(2-fluorophenyl)sulfanylpyridine-3,5-dicarbonitrile (CID 135520150) is 2-amino-4-(3-chloro-4-hydroxyphenyl)-6-(2-fluorophenyl)sulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(3-chloro-4-hydroxyphenyl)-6-(2-fluorophenyl)sulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(3-chloro-4-hydroxyphenyl)-6-(2-fluorophenyl)sulfanylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(Sc2ccccc2F)c(C#N)c1-c1ccc(O)c(Cl)c1.
What is the InChIKey of 2-amino-4-(3-chloro-4-hydroxyphenyl)-6-(2-fluorophenyl)sulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is YGAFINDXZDAQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClFN4OS/c20-13-7-10(5-6-15(13)26)17-11(8-22)18(24)25-19(12(17)9-23)27-16-4-2-1-3-14(16)21/h1-7,26H,(H2,24,25).
What are the key properties of 2-amino-4-(3-chloro-4-hydroxyphenyl)-6-(2-fluorophenyl)sulfanylpyridine-3,5-dicarbonitrile?
2-amino-4-(3-chloro-4-hydroxyphenyl)-6-(2-fluorophenyl)sulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 396.83 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-chloro-4-hydroxyphenyl)-6-(2-fluorophenyl)sulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 135520150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).