acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(5-isocyano-4-methyl-3-pyridinyl)ethanone;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carbonitrile;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane

C195H227F8N43O6S — CID 158004282

IUPACacetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(5-isocyano-4-methyl-3-pyridinyl)ethanone;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carbonitrile;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane
SMILESCC.CC.CC.CC.CC.CC#N.CC(F)(F)F.COC.COC(=O)c1ccc(C)cn1.Cc1ccc(C#N)nc1.Cc1ccc(C(F)(F)F)nc1.Cc1ccc(F)nc1.Cc1ccc2ccccc2n1.Cc1ccc2ncnn2c1.Cc1ccccn1.Cc1cccnc1.Cc1ccn(C)c(=O)c1.Cc1ccncc1.Cc1ccnnc1.Cc1ccnnc1.Cc1cnc2c(c1)ncn2C.Cc1cnc2ccoc2c1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1csc(-c2ccccc2F)n1.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2n1C.Cn1cnc2ccccc21.Cn1ncc2ccccc21.[C-]#[N+]c1cncc(C(C)=O)c1C
InChIInChI=1S/C14H12N2.C10H8FNS.C10H9N.C9H8N2O.C9H10N2.C8H9N3.2C8H8N2.C8H9NO2.C8H7NO.C7H6F3N.C7H7N3.C7H6N2.C7H9NO.C6H6FN.3C6H7N.7C5H6N2.C2H3F3.C2H3N.C2H6O.5C2H6/c1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12;1-7-6-13-10(12-7)8-4-2-3-5-9(8)11;1-8-6-7-9-4-2-3-5-10(9)11-8;1-6-8(7(2)12)4-11-5-9(6)10-3;1-7-10-8-5-3-4-6-9(8)11(7)2;1-6-3-7-8(9-4-6)11(2)5-10-7;1-10-6-9-7-4-2-3-5-8(7)10;1-10-8-5-3-2-4-7(8)6-9-10;1-6-3-4-7(9-5-6)8(10)11-2;1-6-4-8-7(9-5-6)2-3-10-8;1-5-2-3-6(11-4-5)7(8,9)10;1-6-2-3-7-8-5-9-10(7)4-6;1-6-2-3-7(4-8)9-5-6;1-6-3-4-8(2)7(9)5-6;1-5-2-3-6(7)8-4-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;5*1-5-4-6-2-3-7-5;2*1-5-2-3-6-7-4-5;1-2(3,4)5;1-2-3;1-3-2;5*1-2/h2-10H,1H3;2-6H,1H3;2-7H,1H3;4-5H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;2*2-6H,1H3;3-5H,1-2H3;2-5H,1H3;2-4H,1H3;2-5H,1H3;2-3,5H,1H3;3-5H,1-2H3;2-4H,1H3;3*2-5H,1H3;7*2-4H,1H3;1H3;1H3;1-2H3;5*1-2H3
InChIKeyFECGGOPRINRFAT-UHFFFAOYSA-N
MW3453.31 g/mol
LogP44.98
Rot. Bonds4

About acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(5-isocyano-4-methyl-3-pyridinyl)ethanone;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carbonitrile;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane

acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(5-isocyano-4-methyl-3-pyridinyl)ethanone;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carbonitrile;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane (PubChem CID 158004282) has the molecular formula C195H227F8N43O6S and a molecular weight of 3453.31 g/mol. Its IUPAC name is acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(5-isocyano-4-methyl-3-pyridinyl)ethanone;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carbonitrile;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane.

Molecular Properties

Compound Nameacetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(5-isocyano-4-methyl-3-pyridinyl)ethanone;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carbonitrile;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane
PubChem CID158004282
Molecular FormulaC195H227F8N43O6S
Molecular Weight3453.31 g/mol
Exact Mass3450.84
IUPAC Nameacetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(5-isocyano-4-methyl-3-pyridinyl)ethanone;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carbonitrile;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane
SMILESCC.CC.CC.CC.CC.CC#N.CC(F)(F)F.COC.COC(=O)c1ccc(C)cn1.Cc1ccc(C#N)nc1.Cc1ccc(C(F)(F)F)nc1.Cc1ccc(F)nc1.Cc1ccc2ccccc2n1.Cc1ccc2ncnn2c1.Cc1ccccn1.Cc1cccnc1.Cc1ccn(C)c(=O)c1.Cc1ccncc1.Cc1ccnnc1.Cc1ccnnc1.Cc1cnc2c(c1)ncn2C.Cc1cnc2ccoc2c1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1csc(-c2ccccc2F)n1.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2n1C.Cn1cnc2ccccc21.Cn1ncc2ccccc21.[C-]#[N+]c1cncc(C(C)=O)c1C
InChIInChI=1S/C14H12N2.C10H8FNS.C10H9N.C9H8N2O.C9H10N2.C8H9N3.2C8H8N2.C8H9NO2.C8H7NO.C7H6F3N.C7H7N3.C7H6N2.C7H9NO.C6H6FN.3C6H7N.7C5H6N2.C2H3F3.C2H3N.C2H6O.5C2H6/c1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12;1-7-6-13-10(12-7)8-4-2-3-5-9(8)11;1-8-6-7-9-4-2-3-5-10(9)11-8;1-6-8(7(2)12)4-11-5-9(6)10-3;1-7-10-8-5-3-4-6-9(8)11(7)2;1-6-3-7-8(9-4-6)11(2)5-10-7;1-10-6-9-7-4-2-3-5-8(7)10;1-10-8-5-3-2-4-7(8)6-9-10;1-6-3-4-7(9-5-6)8(10)11-2;1-6-4-8-7(9-5-6)2-3-10-8;1-5-2-3-6(11-4-5)7(8,9)10;1-6-2-3-7-8-5-9-10(7)4-6;1-6-2-3-7(4-8)9-5-6;1-6-3-4-8(2)7(9)5-6;1-5-2-3-6(7)8-4-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;5*1-5-4-6-2-3-7-5;2*1-5-2-3-6-7-4-5;1-2(3,4)5;1-2-3;1-3-2;5*1-2/h2-10H,1H3;2-6H,1H3;2-7H,1H3;4-5H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;2*2-6H,1H3;3-5H,1-2H3;2-5H,1H3;2-4H,1H3;2-5H,1H3;2-3,5H,1H3;3-5H,1-2H3;2-4H,1H3;3*2-5H,1H3;7*2-4H,1H3;1H3;1H3;1-2H3;5*1-2H3
InChIKeyFECGGOPRINRFAT-UHFFFAOYSA-N
XLogP44.98
TPSA594.11 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds4
Heavy Atoms253
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003453.31
LogP ≤ 544.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(5-isocyano-4-methyl-3-pyridinyl)ethanone;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carbonitrile;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
benzene-1,2-dicarbonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;1,2-bis(trifluoromethyl)benzene;5H-cyclopenta[c]pyridine;3H-indazole;isoindole-1,3-dione;4H-naphthalen-1-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2-phenyl-1,3-benzoxazole;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;quinazoline;1,2,3-tris(trifluoromethyl)benzene
CID 157751392
1,2-Dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene
CID 158253580
5-tert-butyl-N,N-dimethylpyrazin-2-amine;6-tert-butyl-N,N-dimethylpyridazin-3-amine;6-tert-butyl-N,N-dimethylpyrimidin-4-amine;4-tert-butyl-5-fluoropyrimidine;4-tert-butylfuro[2,3-d]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-6-(methoxymethyl)pyridine;4-tert-butyl-6-(methoxymethyl)pyrimidine;3-tert-butyl-6-methoxypyridazine;7-tert-butyl-1-methylindole;7-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidine;2-tert-butylpyrazine;4-(5-tert-butylpyrazin-2-yl)morpholine;5-tert-butylpyrazolo[1,5-a]pyrimidine;3-tert-butylpyridazine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;4-(4-tert-butylpyrimidin-2-yl)morpholine;3-tert-butyl-1,2,4-thiadiazole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;3-tert-butyl-6-(trifluoromethyl)pyridazine;2-tert-butyl-N,N,6-trimethylpyrimidine-4-carboxamide
CID 158390649
2-(6-Fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4-fluoro-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(5-fluoro-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(3-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone
CID 158452685
2-tert-butylbenzonitrile;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylimidazole;2-tert-butyl-3H-indole;3-tert-butylisoquinoline;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;3-(2,2-dimethylpropyl)-1,1-difluorocyclobutane;4-(2,2-dimethylpropyl)oxane
CID 159544015
Acetonitrile;1,2-dimethylbenzimidazole;tris(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;methoxymethane;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);toluene;1,1,1-trifluoroethane
CID 159887553
6-[4-(1,1-difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;methyl (E)-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]prop-2-enoate;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160204499
10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3H-furan-3-id-2-yl)-1,3-benzothiazole;12H-phenanthro[9,10-b]pyridin-12-ide;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole;2-phenyl-1H-imidazole;1-phenylisoquinoline;2-phenyl-1,3-oxazole;2-phenylpyridine;2-phenylquinoline;2-phenyl-1,3-thiazole;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole
CID 160998536
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1H-indole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;3-ethenyl-2-methylpyridine;5-fluoro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;5-methylimidazo[1,2-c]pyrimidine;2-methyl-1H-imidazole;4-methyl-1H-indole;1-methylisoquinoline;4-(1-methylisoquinolin-3-yl)morpholine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylquinazoline;4-(4-methylquinazolin-2-yl)morpholine;4-methylthieno[2,3-d]pyrimidine;4-methyl-2-(trifluoromethyl)-1H-indole;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 161326481
2-(6-Fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(5-fluoro-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(3-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone
CID 161457886
Acetonitrile;1,2-dimethylbenzimidazole;1,5-dimethylbenzimidazole;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;1,1,1-trifluoroethane
CID 161544054

Frequently Asked Questions

What is the IUPAC name of acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(5-isocyano-4-methyl-3-pyridinyl)ethanone;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carbonitrile;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane?
The IUPAC name of acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(5-isocyano-4-methyl-3-pyridinyl)ethanone;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carbonitrile;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane (CID 158004282) is acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(5-isocyano-4-methyl-3-pyridinyl)ethanone;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carbonitrile;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane.
What is the SMILES notation for acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(5-isocyano-4-methyl-3-pyridinyl)ethanone;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carbonitrile;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane?
The canonical SMILES for acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(5-isocyano-4-methyl-3-pyridinyl)ethanone;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carbonitrile;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane is CC.CC.CC.CC.CC.CC#N.CC(F)(F)F.COC.COC(=O)c1ccc(C)cn1.Cc1ccc(C#N)nc1.Cc1ccc(C(F)(F)F)nc1.Cc1ccc(F)nc1.Cc1ccc2ccccc2n1.Cc1ccc2ncnn2c1.Cc1ccccn1.Cc1cccnc1.Cc1ccn(C)c(=O)c1.Cc1ccncc1.Cc1ccnnc1.Cc1ccnnc1.Cc1cnc2c(c1)ncn2C.Cc1cnc2ccoc2c1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1csc(-c2ccccc2F)n1.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2n1C.Cn1cnc2ccccc21.Cn1ncc2ccccc21.[C-]#[N+]c1cncc(C(C)=O)c1C.
What is the InChIKey of acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(5-isocyano-4-methyl-3-pyridinyl)ethanone;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carbonitrile;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane?
The InChIKey is FECGGOPRINRFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2.C10H8FNS.C10H9N.C9H8N2O.C9H10N2.C8H9N3.2C8H8N2.C8H9NO2.C8H7NO.C7H6F3N.C7H7N3.C7H6N2.C7H9NO.C6H6FN.3C6H7N.7C5H6N2.C2H3F3.C2H3N.C2H6O.5C2H6/c1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12;1-7-6-13-10(12-7)8-4-2-3-5-9(8)11;1-8-6-7-9-4-2-3-5-10(9)11-8;1-6-8(7(2)12)4-11-5-9(6)10-3;1-7-10-8-5-3-4-6-9(8)11(7)2;1-6-3-7-8(9-4-6)11(2)5-10-7;1-10-6-9-7-4-2-3-5-8(7)10;1-10-8-5-3-2-4-7(8)6-9-10;1-6-3-4-7(9-5-6)8(10)11-2;1-6-4-8-7(9-5-6)2-3-10-8;1-5-2-3-6(11-4-5)7(8,9)10;1-6-2-3-7-8-5-9-10(7)4-6;1-6-2-3-7(4-8)9-5-6;1-6-3-4-8(2)7(9)5-6;1-5-2-3-6(7)8-4-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;5*1-5-4-6-2-3-7-5;2*1-5-2-3-6-7-4-5;1-2(3,4)5;1-2-3;1-3-2;5*1-2/h2-10H,1H3;2-6H,1H3;2-7H,1H3;4-5H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;2*2-6H,1H3;3-5H,1-2H3;2-5H,1H3;2-4H,1H3;2-5H,1H3;2-3,5H,1H3;3-5H,1-2H3;2-4H,1H3;3*2-5H,1H3;7*2-4H,1H3;1H3;1H3;1-2H3;5*1-2H3.
What are the key properties of acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(5-isocyano-4-methyl-3-pyridinyl)ethanone;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carbonitrile;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane?
acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(5-isocyano-4-methyl-3-pyridinyl)ethanone;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carbonitrile;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane has a molecular weight of 3453.31 g/mol, XLogP of 44.98, 4 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(5-isocyano-4-methyl-3-pyridinyl)ethanone;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carbonitrile;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane is sourced from PubChem (CID 158004282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).