2-(3,5-difluoro-2-methylphenyl)-1-methylpyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol

C91H90F2N8O2+6 — CID 159148162

IUPAC2-(3,5-difluoro-2-methylphenyl)-1-methylpyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol
SMILESCc1c(-c2cccc[n+]2C)ccc2ccccc12.Cc1c(F)cc(F)cc1-c1cccc[n+]1C.Cc1cc(CO)oc1-c1ccc2ccccc2[n+]1C.Cc1ccccc1-c1cccc(-c2ccccc2)[n+]1C.Cc1ccccc1-n1cc2ccccc2[n+]1C.Cc1ccccc1-n1ccc[n+]1C
InChIInChI=1S/C19H18N.C17H16N.C16H16NO2.C15H15N2.C13H12F2N.C11H13N2/c1-15-9-6-7-12-17(15)19-14-8-13-18(20(19)2)16-10-4-3-5-11-16;1-13-15-8-4-3-7-14(15)10-11-16(13)17-9-5-6-12-18(17)2;1-11-9-13(10-18)19-16(11)15-8-7-12-5-3-4-6-14(12)17(15)2;1-12-7-3-5-9-14(12)17-11-13-8-4-6-10-15(13)16(17)2;1-9-11(7-10(14)8-12(9)15)13-5-3-4-6-16(13)2;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2/h3-14H,1-2H3;3-12H,1-2H3;3-9,18H,10H2,1-2H3;3-11H,1-2H3;3-8H,1-2H3;3-9H,1-2H3/q6*+1
InChIKeyGIHKINZVFDZLHT-UHFFFAOYSA-N
MW1365.77 g/mol
LogP17.66
Rot. Bonds8

About 2-(3,5-difluoro-2-methylphenyl)-1-methylpyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol

2-(3,5-difluoro-2-methylphenyl)-1-methylpyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol (PubChem CID 159148162) has the molecular formula C91H90F2N8O2+6 and a molecular weight of 1365.77 g/mol. Its IUPAC name is 2-(3,5-difluoro-2-methylphenyl)-1-methylpyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol.

Molecular Properties

Compound Name2-(3,5-difluoro-2-methylphenyl)-1-methylpyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol
PubChem CID159148162
Molecular FormulaC91H90F2N8O2+6
Molecular Weight1365.77 g/mol
Exact Mass1364.71
IUPAC Name2-(3,5-difluoro-2-methylphenyl)-1-methylpyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol
SMILESCc1c(-c2cccc[n+]2C)ccc2ccccc12.Cc1c(F)cc(F)cc1-c1cccc[n+]1C.Cc1cc(CO)oc1-c1ccc2ccccc2[n+]1C.Cc1ccccc1-c1cccc(-c2ccccc2)[n+]1C.Cc1ccccc1-n1cc2ccccc2[n+]1C.Cc1ccccc1-n1ccc[n+]1C
InChIInChI=1S/C19H18N.C17H16N.C16H16NO2.C15H15N2.C13H12F2N.C11H13N2/c1-15-9-6-7-12-17(15)19-14-8-13-18(20(19)2)16-10-4-3-5-11-16;1-13-15-8-4-3-7-14(15)10-11-16(13)17-9-5-6-12-18(17)2;1-11-9-13(10-18)19-16(11)15-8-7-12-5-3-4-6-14(12)17(15)2;1-12-7-3-5-9-14(12)17-11-13-8-4-6-10-15(13)16(17)2;1-9-11(7-10(14)8-12(9)15)13-5-3-4-6-16(13)2;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2/h3-14H,1-2H3;3-12H,1-2H3;3-9,18H,10H2,1-2H3;3-11H,1-2H3;3-8H,1-2H3;3-9H,1-2H3/q6*+1
InChIKeyGIHKINZVFDZLHT-UHFFFAOYSA-N
XLogP17.66
TPSA66.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001365.77
LogP ≤ 517.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(3,5-difluoro-2-methylphenyl)-1-methylpyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol with MolForge

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Related Compounds

22'-Methyl-12-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-1-ium-1-yl]methyl]spiro[24-oxa-11-azoniahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18,20,22-undecaene-13,14'-3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene]
CID 123794045
2-(3,5-Difluoro-2-methylphenyl)-1-methylpyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol;[4-methyl-3-[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]phenyl]methyl formate
CID 158058096
2-(3,5-Difluoro-2-methylphenyl)-1-methylpyridin-1-ium;6-(4-ethoxy-1-methylpyridin-1-ium-2-yl)-7-methylnaphthalene-1,4-dione;methane;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol;[4-methyl-3-[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]phenyl]methyl formate
CID 161129018
2-(5-Fluoro-2,3-dimethylphenyl)-1-methylpyridin-1-ium;2-(5-methoxy-3-methylfuran-2-yl)-1-methylquinolin-1-ium;methyl 4-methyl-3-[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]benzoate;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium
CID 161334754
7-[1,5-Dimethyl-3-[(4-morpholin-4-ylphenoxy)methyl]pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1-(pyridin-3-ylmethyl)indole-2-carboxylic acid
CID 68933189
[1-Amino-3-(2,5-difluorophenoxy)piperidin-3-yl]methanol;2-[3-(2,5-difluorophenoxy)-3-(hydroxymethyl)piperidin-1-yl]-1-[1-methyl-3-(2-methyl-4-pyridinyl)indazol-5-yl]ethanone;1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carboxylic acid
CID 157333600
1-Methyl-2-(3-methylfuran-2-yl)quinolin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium
CID 157968383
[5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;5-fluoro-7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(3-methyl-1H-isoindol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)furan-2-yl]boronic acid
CID 158586376
1-Methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-benzothiazol-3-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol
CID 158716968
2-(3,5-Difluoro-2-methylphenyl)-1-methylpyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol
CID 161923707

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-2-methylphenyl)-1-methylpyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol?
The IUPAC name of 2-(3,5-difluoro-2-methylphenyl)-1-methylpyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol (CID 159148162) is 2-(3,5-difluoro-2-methylphenyl)-1-methylpyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol.
What is the SMILES notation for 2-(3,5-difluoro-2-methylphenyl)-1-methylpyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol?
The canonical SMILES for 2-(3,5-difluoro-2-methylphenyl)-1-methylpyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol is Cc1c(-c2cccc[n+]2C)ccc2ccccc12.Cc1c(F)cc(F)cc1-c1cccc[n+]1C.Cc1cc(CO)oc1-c1ccc2ccccc2[n+]1C.Cc1ccccc1-c1cccc(-c2ccccc2)[n+]1C.Cc1ccccc1-n1cc2ccccc2[n+]1C.Cc1ccccc1-n1ccc[n+]1C.
What is the InChIKey of 2-(3,5-difluoro-2-methylphenyl)-1-methylpyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol?
The InChIKey is GIHKINZVFDZLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N.C17H16N.C16H16NO2.C15H15N2.C13H12F2N.C11H13N2/c1-15-9-6-7-12-17(15)19-14-8-13-18(20(19)2)16-10-4-3-5-11-16;1-13-15-8-4-3-7-14(15)10-11-16(13)17-9-5-6-12-18(17)2;1-11-9-13(10-18)19-16(11)15-8-7-12-5-3-4-6-14(12)17(15)2;1-12-7-3-5-9-14(12)17-11-13-8-4-6-10-15(13)16(17)2;1-9-11(7-10(14)8-12(9)15)13-5-3-4-6-16(13)2;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2/h3-14H,1-2H3;3-12H,1-2H3;3-9,18H,10H2,1-2H3;3-11H,1-2H3;3-8H,1-2H3;3-9H,1-2H3/q6*+1.
What are the key properties of 2-(3,5-difluoro-2-methylphenyl)-1-methylpyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol?
2-(3,5-difluoro-2-methylphenyl)-1-methylpyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol has a molecular weight of 1365.77 g/mol, XLogP of 17.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-2-methylphenyl)-1-methylpyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol is sourced from PubChem (CID 159148162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).