1-[5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[5-(3-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[2-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;methane;1-[5-(4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[4-(6-methyl-3-pyridinyl)phenyl]but-3-yn-2-ol

C209H288F9N11O11 — CID 157350746

IUPAC1-[5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[5-(3-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[2-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;methane;1-[5-(4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[4-(6-methyl-3-pyridinyl)phenyl]but-3-yn-2-ol
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C#CC(O)Cc1ccc(-c2ccc(C)c(F)c2)cn1.C#CC(O)Cc1ccc(-c2ccc(C)c(F)c2)nc1.C#CC(O)Cc1ccc(-c2ccc(C)c(F)c2F)cn1.C#CC(O)Cc1ccc(-c2ccc(C)cc2)cn1.C#CC(O)Cc1ccc(-c2ccc(C)cc2)nc1.C#CC(O)Cc1ccc(-c2ccc(C)cc2F)cn1.C#CC(O)Cc1ccc(-c2ccc(C)cn2)c(F)c1.C#CC(O)Cc1ccc(-c2ccc(C)cn2)c(F)c1F.C#CC(O)Cc1ccc(-c2ccc(C)cn2)cc1.C#CC(O)Cc1ccc(-c2ccc(C)cn2)cc1F.C#CC(O)Cc1ccc(-c2ccc(C)nc2)cc1
InChIInChI=1S/2C16H13F2NO.5C16H14FNO.4C16H15NO.33CH4/c1-3-13(20)8-12-6-5-11(9-19-12)14-7-4-10(2)15(17)16(14)18;1-3-12(20)8-11-5-6-13(16(18)15(11)17)14-7-4-10(2)9-19-14;1-3-14(19)8-12-5-6-13(9-15(12)17)16-7-4-11(2)10-18-16;1-3-13(19)8-12-5-6-14(15(17)9-12)16-7-4-11(2)10-18-16;1-3-14(19)9-13-6-5-12(10-18-13)15-7-4-11(2)8-16(15)17;1-3-14(19)8-12-5-7-16(18-10-12)13-6-4-11(2)15(17)9-13;1-3-15(19)9-14-7-6-13(10-18-14)12-5-4-11(2)16(17)8-12;1-3-15(18)10-13-5-7-14(8-6-13)16-9-4-12(2)11-17-16;1-3-16(18)10-13-5-8-14(9-6-13)15-7-4-12(2)17-11-15;1-3-15(18)10-13-6-9-16(17-11-13)14-7-4-12(2)5-8-14;1-3-16(18)10-15-9-8-14(11-17-15)13-6-4-12(2)5-7-13;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1,4-7,9,13,20H,8H2,2H3;1,4-7,9,12,20H,8H2,2H3;1,4-7,9-10,14,19H,8H2,2H3;1,4-7,9-10,13,19H,8H2,2H3;1,4-8,10,14,19H,9H2,2H3;1,4-7,9-10,14,19H,8H2,2H3;1,4-8,10,15,19H,9H2,2H3;1,4-9,11,15,18H,10H2,2H3;1,4-9,11,16,18H,10H2,2H3;1,4-9,11,15,18H,10H2,2H3;1,4-9,11,16,18H,10H2,2H3;33*1H4
InChIKeyBHMRLZLACPHZNW-UHFFFAOYSA-N
MW3301.65 g/mol
LogP50.77
Rot. Bonds33

About 1-[5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[5-(3-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[2-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;methane;1-[5-(4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[4-(6-methyl-3-pyridinyl)phenyl]but-3-yn-2-ol

1-[5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[5-(3-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[2-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;methane;1-[5-(4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[4-(6-methyl-3-pyridinyl)phenyl]but-3-yn-2-ol (PubChem CID 157350746) has the molecular formula C209H288F9N11O11 and a molecular weight of 3301.65 g/mol. Its IUPAC name is 1-[5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[5-(3-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[2-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;methane;1-[5-(4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[4-(6-methyl-3-pyridinyl)phenyl]but-3-yn-2-ol.

Molecular Properties

Compound Name1-[5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[5-(3-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[2-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;methane;1-[5-(4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[4-(6-methyl-3-pyridinyl)phenyl]but-3-yn-2-ol
PubChem CID157350746
Molecular FormulaC209H288F9N11O11
Molecular Weight3301.65 g/mol
Exact Mass3299.22
IUPAC Name1-[5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[5-(3-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[2-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;methane;1-[5-(4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[4-(6-methyl-3-pyridinyl)phenyl]but-3-yn-2-ol
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C#CC(O)Cc1ccc(-c2ccc(C)c(F)c2)cn1.C#CC(O)Cc1ccc(-c2ccc(C)c(F)c2)nc1.C#CC(O)Cc1ccc(-c2ccc(C)c(F)c2F)cn1.C#CC(O)Cc1ccc(-c2ccc(C)cc2)cn1.C#CC(O)Cc1ccc(-c2ccc(C)cc2)nc1.C#CC(O)Cc1ccc(-c2ccc(C)cc2F)cn1.C#CC(O)Cc1ccc(-c2ccc(C)cn2)c(F)c1.C#CC(O)Cc1ccc(-c2ccc(C)cn2)c(F)c1F.C#CC(O)Cc1ccc(-c2ccc(C)cn2)cc1.C#CC(O)Cc1ccc(-c2ccc(C)cn2)cc1F.C#CC(O)Cc1ccc(-c2ccc(C)nc2)cc1
InChIInChI=1S/2C16H13F2NO.5C16H14FNO.4C16H15NO.33CH4/c1-3-13(20)8-12-6-5-11(9-19-12)14-7-4-10(2)15(17)16(14)18;1-3-12(20)8-11-5-6-13(16(18)15(11)17)14-7-4-10(2)9-19-14;1-3-14(19)8-12-5-6-13(9-15(12)17)16-7-4-11(2)10-18-16;1-3-13(19)8-12-5-6-14(15(17)9-12)16-7-4-11(2)10-18-16;1-3-14(19)9-13-6-5-12(10-18-13)15-7-4-11(2)8-16(15)17;1-3-14(19)8-12-5-7-16(18-10-12)13-6-4-11(2)15(17)9-13;1-3-15(19)9-14-7-6-13(10-18-14)12-5-4-11(2)16(17)8-12;1-3-15(18)10-13-5-7-14(8-6-13)16-9-4-12(2)11-17-16;1-3-16(18)10-13-5-8-14(9-6-13)15-7-4-12(2)17-11-15;1-3-15(18)10-13-6-9-16(17-11-13)14-7-4-12(2)5-8-14;1-3-16(18)10-15-9-8-14(11-17-15)13-6-4-12(2)5-7-13;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1,4-7,9,13,20H,8H2,2H3;1,4-7,9,12,20H,8H2,2H3;1,4-7,9-10,14,19H,8H2,2H3;1,4-7,9-10,13,19H,8H2,2H3;1,4-8,10,14,19H,9H2,2H3;1,4-7,9-10,14,19H,8H2,2H3;1,4-8,10,15,19H,9H2,2H3;1,4-9,11,15,18H,10H2,2H3;1,4-9,11,16,18H,10H2,2H3;1,4-9,11,15,18H,10H2,2H3;1,4-9,11,16,18H,10H2,2H3;33*1H4
InChIKeyBHMRLZLACPHZNW-UHFFFAOYSA-N
XLogP50.77
TPSA364.32 Ų
H-Bond Donors11
H-Bond Acceptors22
Rotatable Bonds33
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003301.65
LogP ≤ 550.77
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 1-[5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[5-(3-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[2-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;methane;1-[5-(4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[4-(6-methyl-3-pyridinyl)phenyl]but-3-yn-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[2,3-difluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(6-methylquinolin-2-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;methane;1-[4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[4-(6-methylquinazolin-2-yl)phenyl]but-3-yn-2-ol
CID 159844667
1-[7-(2,3-difluoro-4-methylphenyl)isoquinolin-3-yl]but-3-yn-2-ol;1-[2-(2,3-difluoro-4-methylphenyl)quinazolin-6-yl]but-3-yn-2-ol;1-[6-(2,3-difluoro-4-methylphenyl)quinazolin-2-yl]but-3-yn-2-ol;1-[7-(2-fluoro-4-methylphenyl)isoquinolin-3-yl]but-3-yn-2-ol;1-[7-(3-fluoro-4-methylphenyl)isoquinolin-3-yl]but-3-yn-2-ol;1-[2-(2-fluoro-4-methylphenyl)quinazolin-6-yl]but-3-yn-2-ol;1-[2-(3-fluoro-4-methylphenyl)quinazolin-6-yl]but-3-yn-2-ol;methane;1-[7-(4-methylphenyl)isoquinolin-3-yl]but-3-yn-2-ol;1-[2-(4-methylphenyl)quinazolin-6-yl]but-3-yn-2-ol
CID 157152036
5-(2-fluoro-4-methylphenyl)-2-(3-fluoro-4-methylphenyl)pyridine
CID 54326590
2-(2-fluoro-4-methylphenyl)-5-methylpyridine;2-(3-fluoro-4-methylphenyl)-5-methylpyridine;5-(2-fluoro-4-methylphenyl)-2-methylpyridine;5-(3-fluoro-4-methylphenyl)-2-methylpyridine;2-methyl-5-(4-methylphenyl)pyrazine;3-methyl-6-(4-methylphenyl)pyridazine;2-methyl-5-(4-methylphenyl)pyrimidine;5-methyl-2-(4-methylphenyl)pyrimidine;3-methyl-6-(6-methylpyridazin-3-yl)pyridazine;2-methyl-5-(6-methyl-3-pyridinyl)pyrazine;3-methyl-6-(6-methyl-3-pyridinyl)pyridazine;2-methyl-5-(5-methyl-2-pyridinyl)pyrimidine;2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine;bis(5-methyl-2-(6-methyl-3-pyridinyl)pyrimidine);2-methyl-5-(2-methylpyrimidin-5-yl)pyrimidine
CID 160794755
2-[2,3-difluoro-4-(6-methyl-3-pyridinyl)phenyl]-5-methylpyridine
CID 20663203
2-(2,3-difluoro-4-methylphenyl)-5-(6-methyl-3-pyridinyl)pyridine
CID 22899584
1-[6-(8-fluoro-6-methylnaphthalen-2-yl)-3-pyridinyl]but-3-yn-2-ol
CID 20663173
1-[2-(2,3-difluoro-4-methylphenyl)quinolin-6-yl]but-3-yn-2-ol
CID 20663028
2-[3-fluoro-4-(fluoromethyl)phenyl]-5-methylpyridine
CID 59330244
2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;2-fluoro-1-methyl-4-(4-methylphenyl)benzene;2-fluoro-4-methyl-1-(4-methylphenyl)benzene
CID 144612336
1-[4-(2-methylquinoxalin-6-yl)phenyl]but-3-yn-2-ol
CID 20663108
2-[4-[3,5-difluoro-4-(fluoromethyl)phenyl]-3-fluorophenyl]-5-methylpyridine
CID 59330238

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[5-(3-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[2-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;methane;1-[5-(4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[4-(6-methyl-3-pyridinyl)phenyl]but-3-yn-2-ol?
The IUPAC name of 1-[5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[5-(3-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[2-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;methane;1-[5-(4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[4-(6-methyl-3-pyridinyl)phenyl]but-3-yn-2-ol (CID 157350746) is 1-[5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[5-(3-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[2-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;methane;1-[5-(4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[4-(6-methyl-3-pyridinyl)phenyl]but-3-yn-2-ol.
What is the SMILES notation for 1-[5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[5-(3-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[2-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;methane;1-[5-(4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[4-(6-methyl-3-pyridinyl)phenyl]but-3-yn-2-ol?
The canonical SMILES for 1-[5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[5-(3-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[2-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;methane;1-[5-(4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[4-(6-methyl-3-pyridinyl)phenyl]but-3-yn-2-ol is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C#CC(O)Cc1ccc(-c2ccc(C)c(F)c2)cn1.C#CC(O)Cc1ccc(-c2ccc(C)c(F)c2)nc1.C#CC(O)Cc1ccc(-c2ccc(C)c(F)c2F)cn1.C#CC(O)Cc1ccc(-c2ccc(C)cc2)cn1.C#CC(O)Cc1ccc(-c2ccc(C)cc2)nc1.C#CC(O)Cc1ccc(-c2ccc(C)cc2F)cn1.C#CC(O)Cc1ccc(-c2ccc(C)cn2)c(F)c1.C#CC(O)Cc1ccc(-c2ccc(C)cn2)c(F)c1F.C#CC(O)Cc1ccc(-c2ccc(C)cn2)cc1.C#CC(O)Cc1ccc(-c2ccc(C)cn2)cc1F.C#CC(O)Cc1ccc(-c2ccc(C)nc2)cc1.
What is the InChIKey of 1-[5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[5-(3-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[2-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;methane;1-[5-(4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[4-(6-methyl-3-pyridinyl)phenyl]but-3-yn-2-ol?
The InChIKey is BHMRLZLACPHZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H13F2NO.5C16H14FNO.4C16H15NO.33CH4/c1-3-13(20)8-12-6-5-11(9-19-12)14-7-4-10(2)15(17)16(14)18;1-3-12(20)8-11-5-6-13(16(18)15(11)17)14-7-4-10(2)9-19-14;1-3-14(19)8-12-5-6-13(9-15(12)17)16-7-4-11(2)10-18-16;1-3-13(19)8-12-5-6-14(15(17)9-12)16-7-4-11(2)10-18-16;1-3-14(19)9-13-6-5-12(10-18-13)15-7-4-11(2)8-16(15)17;1-3-14(19)8-12-5-7-16(18-10-12)13-6-4-11(2)15(17)9-13;1-3-15(19)9-14-7-6-13(10-18-14)12-5-4-11(2)16(17)8-12;1-3-15(18)10-13-5-7-14(8-6-13)16-9-4-12(2)11-17-16;1-3-16(18)10-13-5-8-14(9-6-13)15-7-4-12(2)17-11-15;1-3-15(18)10-13-6-9-16(17-11-13)14-7-4-12(2)5-8-14;1-3-16(18)10-15-9-8-14(11-17-15)13-6-4-12(2)5-7-13;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1,4-7,9,13,20H,8H2,2H3;1,4-7,9,12,20H,8H2,2H3;1,4-7,9-10,14,19H,8H2,2H3;1,4-7,9-10,13,19H,8H2,2H3;1,4-8,10,14,19H,9H2,2H3;1,4-7,9-10,14,19H,8H2,2H3;1,4-8,10,15,19H,9H2,2H3;1,4-9,11,15,18H,10H2,2H3;1,4-9,11,16,18H,10H2,2H3;1,4-9,11,15,18H,10H2,2H3;1,4-9,11,16,18H,10H2,2H3;33*1H4.
What are the key properties of 1-[5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[5-(3-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[2-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;methane;1-[5-(4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[4-(6-methyl-3-pyridinyl)phenyl]but-3-yn-2-ol?
1-[5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[5-(3-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[2-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;methane;1-[5-(4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[4-(6-methyl-3-pyridinyl)phenyl]but-3-yn-2-ol has a molecular weight of 3301.65 g/mol, XLogP of 50.77, 33 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[5-(3-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[2-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;methane;1-[5-(4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[4-(6-methyl-3-pyridinyl)phenyl]but-3-yn-2-ol is sourced from PubChem (CID 157350746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).