4-amino-3-fluorophenol;4-chloro-3-methylaniline;1-(4-chloro-3-methylphenyl)-3-(2-fluoro-4-hydroxyphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;methane;methyl 4-methylpyridine-2-carboxylate;4-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide;molecular iodine;vanadium;triiodide;hydroiodide

C64H64Cl3F6I6N10O8V- — CID 159524494

IUPAC4-amino-3-fluorophenol;4-chloro-3-methylaniline;1-(4-chloro-3-methylphenyl)-3-(2-fluoro-4-hydroxyphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;methane;methyl 4-methylpyridine-2-carboxylate;4-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide;molecular iodine;vanadium;triiodide;hydroiodide
SMILESC.COC(=O)c1cc(C)ccn1.Cc1cc(N)ccc1Cl.Cc1cc(NC(=O)Nc2ccc(O)cc2F)ccc1Cl.Cc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1.I.II.I[I-]I.Nc1ccc(O)cc1F.[2H]C([2H])([2H])NC(=O)c1cc(C)ccn1.[V]
InChIInChI=1S/C20H14ClF4N3O2.C14H12ClFN2O2.C8H10N2O.C8H9NO2.C7H8ClN.C6H6FNO.CH4.I3.I2.HI.V/c1-11-8-14(6-7-26-11)30-13-3-5-18(17(22)10-13)28-19(29)27-12-2-4-16(21)15(9-12)20(23,24)25;1-8-6-9(2-4-11(8)15)17-14(20)18-13-5-3-10(19)7-12(13)16;1-6-3-4-10-7(5-6)8(11)9-2;1-6-3-4-9-7(5-6)8(10)11-2;1-5-4-6(9)2-3-7(5)8;7-5-3-4(9)1-2-6(5)8;;1-3-2;1-2;;/h2-10H,1H3,(H2,27,28,29);2-7,19H,1H3,(H2,17,18,20);3-5H,1-2H3,(H,9,11);3-5H,1-2H3;2-4H,9H2,1H3;1-3,9H,8H2;1H4;;;1H;/q;;;;;;;-1;;;/i;;2D3;;;;;;;;
InChIKeyMZMUOPOAHBNTON-ZHFUVUKWSA-N
MW2137.01 g/mol
LogP17.84
Rot. Bonds9

About 4-amino-3-fluorophenol;4-chloro-3-methylaniline;1-(4-chloro-3-methylphenyl)-3-(2-fluoro-4-hydroxyphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;methane;methyl 4-methylpyridine-2-carboxylate;4-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide;molecular iodine;vanadium;triiodide;hydroiodide

4-amino-3-fluorophenol;4-chloro-3-methylaniline;1-(4-chloro-3-methylphenyl)-3-(2-fluoro-4-hydroxyphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;methane;methyl 4-methylpyridine-2-carboxylate;4-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide;molecular iodine;vanadium;triiodide;hydroiodide (PubChem CID 159524494) has the molecular formula C64H64Cl3F6I6N10O8V- and a molecular weight of 2137.01 g/mol. Its IUPAC name is 4-amino-3-fluorophenol;4-chloro-3-methylaniline;1-(4-chloro-3-methylphenyl)-3-(2-fluoro-4-hydroxyphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;methane;methyl 4-methylpyridine-2-carboxylate;4-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide;molecular iodine;vanadium;triiodide;hydroiodide.

Molecular Properties

Compound Name4-amino-3-fluorophenol;4-chloro-3-methylaniline;1-(4-chloro-3-methylphenyl)-3-(2-fluoro-4-hydroxyphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;methane;methyl 4-methylpyridine-2-carboxylate;4-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide;molecular iodine;vanadium;triiodide;hydroiodide
PubChem CID159524494
Molecular FormulaC64H64Cl3F6I6N10O8V-
Molecular Weight2137.01 g/mol
Exact Mass2134.78
IUPAC Name4-amino-3-fluorophenol;4-chloro-3-methylaniline;1-(4-chloro-3-methylphenyl)-3-(2-fluoro-4-hydroxyphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;methane;methyl 4-methylpyridine-2-carboxylate;4-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide;molecular iodine;vanadium;triiodide;hydroiodide
SMILESC.COC(=O)c1cc(C)ccn1.Cc1cc(N)ccc1Cl.Cc1cc(NC(=O)Nc2ccc(O)cc2F)ccc1Cl.Cc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1.I.II.I[I-]I.Nc1ccc(O)cc1F.[2H]C([2H])([2H])NC(=O)c1cc(C)ccn1.[V]
InChIInChI=1S/C20H14ClF4N3O2.C14H12ClFN2O2.C8H10N2O.C8H9NO2.C7H8ClN.C6H6FNO.CH4.I3.I2.HI.V/c1-11-8-14(6-7-26-11)30-13-3-5-18(17(22)10-13)28-19(29)27-12-2-4-16(21)15(9-12)20(23,24)25;1-8-6-9(2-4-11(8)15)17-14(20)18-13-5-3-10(19)7-12(13)16;1-6-3-4-10-7(5-6)8(11)9-2;1-6-3-4-9-7(5-6)8(10)11-2;1-5-4-6(9)2-3-7(5)8;7-5-3-4(9)1-2-6(5)8;;1-3-2;1-2;;/h2-10H,1H3,(H2,27,28,29);2-7,19H,1H3,(H2,17,18,20);3-5H,1-2H3,(H,9,11);3-5H,1-2H3;2-4H,9H2,1H3;1-3,9H,8H2;1H4;;;1H;/q;;;;;;;-1;;;/i;;2D3;;;;;;;;
InChIKeyMZMUOPOAHBNTON-ZHFUVUKWSA-N
XLogP17.84
TPSA278.06 Ų
H-Bond Donors9
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002137.01
LogP ≤ 517.84
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-amino-3-fluorophenol;4-chloro-3-methylaniline;1-(4-chloro-3-methylphenyl)-3-(2-fluoro-4-hydroxyphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;methane;methyl 4-methylpyridine-2-carboxylate;4-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide;molecular iodine;vanadium;triiodide;hydroiodide with MolForge

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Related Compounds

4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;hydrate
CID 91810343
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;pentane
CID 144702966
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]phenoxy]-N-methylpyridine-2-carboxamide
CID 125337923
1-chloro-4-isocyanato-2-methylbenzene;4-chloro-3-methylaniline;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;1-(4-chloro-3-methylphenyl)-3-(4-hydroxyphenyl)urea;1-(4-chloro-3-methylphenyl)-3-(4-methoxyphenyl)urea;ethane;iodomethane;methane;4-methoxyaniline;4-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide;molecular iodine;triiodovanadium;triiodide
CID 158025075
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-3-methylpyridine-2-carboxamide
CID 68810251
2-[4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-2-pyridinyl]-2-oxoacetamide
CID 141458307
1-(4-chloro-3-methylphenyl)-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;4-chloro-2-methylpyridine
CID 161167639
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide;trifluoromethanesulfonic acid
CID 71511492
4-[4-[(4-chloro-3-methylphenyl)carbamothioylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 159662523
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N,N-diethylpyridine-2-carboxamide
CID 123438277
(4-methylphenyl)methyl N-[2-[[4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]pyridine-2-carbonyl]amino]ethyl]-N-methylcarbamate
CID 167261940
methyl 4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate
CID 71248936

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluorophenol;4-chloro-3-methylaniline;1-(4-chloro-3-methylphenyl)-3-(2-fluoro-4-hydroxyphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;methane;methyl 4-methylpyridine-2-carboxylate;4-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide;molecular iodine;vanadium;triiodide;hydroiodide?
The IUPAC name of 4-amino-3-fluorophenol;4-chloro-3-methylaniline;1-(4-chloro-3-methylphenyl)-3-(2-fluoro-4-hydroxyphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;methane;methyl 4-methylpyridine-2-carboxylate;4-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide;molecular iodine;vanadium;triiodide;hydroiodide (CID 159524494) is 4-amino-3-fluorophenol;4-chloro-3-methylaniline;1-(4-chloro-3-methylphenyl)-3-(2-fluoro-4-hydroxyphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;methane;methyl 4-methylpyridine-2-carboxylate;4-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide;molecular iodine;vanadium;triiodide;hydroiodide.
What is the SMILES notation for 4-amino-3-fluorophenol;4-chloro-3-methylaniline;1-(4-chloro-3-methylphenyl)-3-(2-fluoro-4-hydroxyphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;methane;methyl 4-methylpyridine-2-carboxylate;4-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide;molecular iodine;vanadium;triiodide;hydroiodide?
The canonical SMILES for 4-amino-3-fluorophenol;4-chloro-3-methylaniline;1-(4-chloro-3-methylphenyl)-3-(2-fluoro-4-hydroxyphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;methane;methyl 4-methylpyridine-2-carboxylate;4-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide;molecular iodine;vanadium;triiodide;hydroiodide is C.COC(=O)c1cc(C)ccn1.Cc1cc(N)ccc1Cl.Cc1cc(NC(=O)Nc2ccc(O)cc2F)ccc1Cl.Cc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1.I.II.I[I-]I.Nc1ccc(O)cc1F.[2H]C([2H])([2H])NC(=O)c1cc(C)ccn1.[V].
What is the InChIKey of 4-amino-3-fluorophenol;4-chloro-3-methylaniline;1-(4-chloro-3-methylphenyl)-3-(2-fluoro-4-hydroxyphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;methane;methyl 4-methylpyridine-2-carboxylate;4-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide;molecular iodine;vanadium;triiodide;hydroiodide?
The InChIKey is MZMUOPOAHBNTON-ZHFUVUKWSA-N. The full InChI is InChI=1S/C20H14ClF4N3O2.C14H12ClFN2O2.C8H10N2O.C8H9NO2.C7H8ClN.C6H6FNO.CH4.I3.I2.HI.V/c1-11-8-14(6-7-26-11)30-13-3-5-18(17(22)10-13)28-19(29)27-12-2-4-16(21)15(9-12)20(23,24)25;1-8-6-9(2-4-11(8)15)17-14(20)18-13-5-3-10(19)7-12(13)16;1-6-3-4-10-7(5-6)8(11)9-2;1-6-3-4-9-7(5-6)8(10)11-2;1-5-4-6(9)2-3-7(5)8;7-5-3-4(9)1-2-6(5)8;;1-3-2;1-2;;/h2-10H,1H3,(H2,27,28,29);2-7,19H,1H3,(H2,17,18,20);3-5H,1-2H3,(H,9,11);3-5H,1-2H3;2-4H,9H2,1H3;1-3,9H,8H2;1H4;;;1H;/q;;;;;;;-1;;;/i;;2D3;;;;;;;;.
What are the key properties of 4-amino-3-fluorophenol;4-chloro-3-methylaniline;1-(4-chloro-3-methylphenyl)-3-(2-fluoro-4-hydroxyphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;methane;methyl 4-methylpyridine-2-carboxylate;4-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide;molecular iodine;vanadium;triiodide;hydroiodide?
4-amino-3-fluorophenol;4-chloro-3-methylaniline;1-(4-chloro-3-methylphenyl)-3-(2-fluoro-4-hydroxyphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;methane;methyl 4-methylpyridine-2-carboxylate;4-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide;molecular iodine;vanadium;triiodide;hydroiodide has a molecular weight of 2137.01 g/mol, XLogP of 17.84, 9 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluorophenol;4-chloro-3-methylaniline;1-(4-chloro-3-methylphenyl)-3-(2-fluoro-4-hydroxyphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;methane;methyl 4-methylpyridine-2-carboxylate;4-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide;molecular iodine;vanadium;triiodide;hydroiodide is sourced from PubChem (CID 159524494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).