azane;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-(2-hydroxyethoxy)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-2-carbonitrile;methane;2-(oxan-2-yloxy)ethanol;phosphane;hydrate

C53H62F4N7O9P — CID 160854979

IUPACazane;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-(2-hydroxyethoxy)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-2-carbonitrile;methane;2-(oxan-2-yloxy)ethanol;phosphane;hydrate
SMILESC.N.N#Cc1cc(-c2ccc(F)cc2)c(F)cn1.N#Cc1cc(-c2ccc(F)cc2)c(OCCO)cn1.N#Cc1cc(-c2ccc(F)cc2)c(OCCOC2CCCCO2)cn1.O.OCCOC1CCCCO1.P
InChIInChI=1S/C19H19FN2O3.C14H11FN2O2.C12H6F2N2.C7H14O3.CH4.H3N.H2O.H3P/c20-15-6-4-14(5-7-15)17-11-16(12-21)22-13-18(17)23-9-10-25-19-3-1-2-8-24-19;15-11-3-1-10(2-4-11)13-7-12(8-16)17-9-14(13)19-6-5-18;13-9-3-1-8(2-4-9)11-5-10(6-15)16-7-12(11)14;8-4-6-10-7-3-1-2-5-9-7;;;;/h4-7,11,13,19H,1-3,8-10H2;1-4,7,9,18H,5-6H2;1-5,7H;7-8H,1-6H2;1H4;1H3;1H2;1H3
InChIKeyWLJPHVJDNKANFV-UHFFFAOYSA-N
MW1048.08 g/mol
LogP9.26
Rot. Bonds14

About azane;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-(2-hydroxyethoxy)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-2-carbonitrile;methane;2-(oxan-2-yloxy)ethanol;phosphane;hydrate

azane;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-(2-hydroxyethoxy)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-2-carbonitrile;methane;2-(oxan-2-yloxy)ethanol;phosphane;hydrate (PubChem CID 160854979) has the molecular formula C53H62F4N7O9P and a molecular weight of 1048.08 g/mol. Its IUPAC name is azane;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-(2-hydroxyethoxy)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-2-carbonitrile;methane;2-(oxan-2-yloxy)ethanol;phosphane;hydrate.

Molecular Properties

Compound Nameazane;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-(2-hydroxyethoxy)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-2-carbonitrile;methane;2-(oxan-2-yloxy)ethanol;phosphane;hydrate
PubChem CID160854979
Molecular FormulaC53H62F4N7O9P
Molecular Weight1048.08 g/mol
Exact Mass1047.43
IUPAC Nameazane;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-(2-hydroxyethoxy)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-2-carbonitrile;methane;2-(oxan-2-yloxy)ethanol;phosphane;hydrate
SMILESC.N.N#Cc1cc(-c2ccc(F)cc2)c(F)cn1.N#Cc1cc(-c2ccc(F)cc2)c(OCCO)cn1.N#Cc1cc(-c2ccc(F)cc2)c(OCCOC2CCCCO2)cn1.O.OCCOC1CCCCO1.P
InChIInChI=1S/C19H19FN2O3.C14H11FN2O2.C12H6F2N2.C7H14O3.CH4.H3N.H2O.H3P/c20-15-6-4-14(5-7-15)17-11-16(12-21)22-13-18(17)23-9-10-25-19-3-1-2-8-24-19;15-11-3-1-10(2-4-11)13-7-12(8-16)17-9-14(13)19-6-5-18;13-9-3-1-8(2-4-9)11-5-10(6-15)16-7-12(11)14;8-4-6-10-7-3-1-2-5-9-7;;;;/h4-7,11,13,19H,1-3,8-10H2;1-4,7,9,18H,5-6H2;1-5,7H;7-8H,1-6H2;1H4;1H3;1H2;1H3
InChIKeyWLJPHVJDNKANFV-UHFFFAOYSA-N
XLogP9.26
TPSA272.38 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001048.08
LogP ≤ 59.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze azane;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-(2-hydroxyethoxy)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-2-carbonitrile;methane;2-(oxan-2-yloxy)ethanol;phosphane;hydrate with MolForge

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Related Compounds

2-(chloromethyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-4-carbonitrile
CID 163399060
2-bromo-4-[2-(oxan-2-yloxy)ethoxy]benzonitrile
CID 177043004
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
2-[2-(2-bromophenoxy)ethoxy]oxane
CID 11087925
2-bromo-3-[4-(oxan-2-yloxy)butoxy]benzonitrile
CID 171476346
2-hydroxy-1-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone
CID 71216693
5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine
CID 150391771
2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 119058274
2-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 124522873
(2S)-2-(5-fluoro-2-pyridinyl)-3-[5-methyl-1-[2-[(2R)-oxan-2-yl]oxyethyl]pyrazol-4-yl]-3-oxopropanenitrile
CID 99630284
(2S)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane
CID 124565486
1-(5-fluoro-2-pyridinyl)-3-[2-(oxan-2-yloxy)ethyl]urea
CID 126818180

Frequently Asked Questions

What is the IUPAC name of azane;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-(2-hydroxyethoxy)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-2-carbonitrile;methane;2-(oxan-2-yloxy)ethanol;phosphane;hydrate?
The IUPAC name of azane;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-(2-hydroxyethoxy)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-2-carbonitrile;methane;2-(oxan-2-yloxy)ethanol;phosphane;hydrate (CID 160854979) is azane;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-(2-hydroxyethoxy)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-2-carbonitrile;methane;2-(oxan-2-yloxy)ethanol;phosphane;hydrate.
What is the SMILES notation for azane;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-(2-hydroxyethoxy)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-2-carbonitrile;methane;2-(oxan-2-yloxy)ethanol;phosphane;hydrate?
The canonical SMILES for azane;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-(2-hydroxyethoxy)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-2-carbonitrile;methane;2-(oxan-2-yloxy)ethanol;phosphane;hydrate is C.N.N#Cc1cc(-c2ccc(F)cc2)c(F)cn1.N#Cc1cc(-c2ccc(F)cc2)c(OCCO)cn1.N#Cc1cc(-c2ccc(F)cc2)c(OCCOC2CCCCO2)cn1.O.OCCOC1CCCCO1.P.
What is the InChIKey of azane;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-(2-hydroxyethoxy)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-2-carbonitrile;methane;2-(oxan-2-yloxy)ethanol;phosphane;hydrate?
The InChIKey is WLJPHVJDNKANFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3.C14H11FN2O2.C12H6F2N2.C7H14O3.CH4.H3N.H2O.H3P/c20-15-6-4-14(5-7-15)17-11-16(12-21)22-13-18(17)23-9-10-25-19-3-1-2-8-24-19;15-11-3-1-10(2-4-11)13-7-12(8-16)17-9-14(13)19-6-5-18;13-9-3-1-8(2-4-9)11-5-10(6-15)16-7-12(11)14;8-4-6-10-7-3-1-2-5-9-7;;;;/h4-7,11,13,19H,1-3,8-10H2;1-4,7,9,18H,5-6H2;1-5,7H;7-8H,1-6H2;1H4;1H3;1H2;1H3.
What are the key properties of azane;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-(2-hydroxyethoxy)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-2-carbonitrile;methane;2-(oxan-2-yloxy)ethanol;phosphane;hydrate?
azane;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-(2-hydroxyethoxy)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-2-carbonitrile;methane;2-(oxan-2-yloxy)ethanol;phosphane;hydrate has a molecular weight of 1048.08 g/mol, XLogP of 9.26, 14 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-(2-hydroxyethoxy)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-2-carbonitrile;methane;2-(oxan-2-yloxy)ethanol;phosphane;hydrate is sourced from PubChem (CID 160854979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).