4-(3-chloroindazol-2-yl)phenol;3-chloro-2-(4-methoxyphenyl)indazole;3-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]indazole;2-(4-methoxyphenyl)-1H-indazol-3-one;N-(4-methoxyphenyl)-2-nitrobenzamide;2-nitrobenzoic acid

C82H71Cl3N12O13 — CID 160779905

IUPAC4-(3-chloroindazol-2-yl)phenol;3-chloro-2-(4-methoxyphenyl)indazole;3-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]indazole;2-(4-methoxyphenyl)-1H-indazol-3-one;N-(4-methoxyphenyl)-2-nitrobenzamide;2-nitrobenzoic acid
SMILESCOc1ccc(-n2[nH]c3ccccc3c2=O)cc1.COc1ccc(-n2nc3ccccc3c2Cl)cc1.COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1.Clc1c2ccccc2nn1-c1ccc(OCCN2CCCCC2)cc1.O=C(O)c1ccccc1[N+](=O)[O-].Oc1ccc(-n2nc3ccccc3c2Cl)cc1
InChIInChI=1S/C20H22ClN3O.C14H11ClN2O.C14H12N2O4.C14H12N2O2.C13H9ClN2O.C7H5NO4/c21-20-18-6-2-3-7-19(18)22-24(20)16-8-10-17(11-9-16)25-15-14-23-12-4-1-5-13-23;1-18-11-8-6-10(7-9-11)17-14(15)12-4-2-3-5-13(12)16-17;1-20-11-8-6-10(7-9-11)15-14(17)12-4-2-3-5-13(12)16(18)19;1-18-11-8-6-10(7-9-11)16-14(17)12-4-2-3-5-13(12)15-16;14-13-11-3-1-2-4-12(11)15-16(13)9-5-7-10(17)8-6-9;9-7(10)5-3-1-2-4-6(5)8(11)12/h2-3,6-11H,1,4-5,12-15H2;2-9H,1H3;2-9H,1H3,(H,15,17);2-9,15H,1H3;1-8,17H;1-4H,(H,9,10)
InChIKeyZOFXDBWQMZMRBY-UHFFFAOYSA-N
MW1538.90 g/mol
LogP18.09
Rot. Bonds16

About 4-(3-chloroindazol-2-yl)phenol;3-chloro-2-(4-methoxyphenyl)indazole;3-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]indazole;2-(4-methoxyphenyl)-1H-indazol-3-one;N-(4-methoxyphenyl)-2-nitrobenzamide;2-nitrobenzoic acid

4-(3-chloroindazol-2-yl)phenol;3-chloro-2-(4-methoxyphenyl)indazole;3-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]indazole;2-(4-methoxyphenyl)-1H-indazol-3-one;N-(4-methoxyphenyl)-2-nitrobenzamide;2-nitrobenzoic acid (PubChem CID 160779905) has the molecular formula C82H71Cl3N12O13 and a molecular weight of 1538.90 g/mol. Its IUPAC name is 4-(3-chloroindazol-2-yl)phenol;3-chloro-2-(4-methoxyphenyl)indazole;3-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]indazole;2-(4-methoxyphenyl)-1H-indazol-3-one;N-(4-methoxyphenyl)-2-nitrobenzamide;2-nitrobenzoic acid.

Molecular Properties

Compound Name4-(3-chloroindazol-2-yl)phenol;3-chloro-2-(4-methoxyphenyl)indazole;3-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]indazole;2-(4-methoxyphenyl)-1H-indazol-3-one;N-(4-methoxyphenyl)-2-nitrobenzamide;2-nitrobenzoic acid
PubChem CID160779905
Molecular FormulaC82H71Cl3N12O13
Molecular Weight1538.90 g/mol
Exact Mass1536.43
IUPAC Name4-(3-chloroindazol-2-yl)phenol;3-chloro-2-(4-methoxyphenyl)indazole;3-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]indazole;2-(4-methoxyphenyl)-1H-indazol-3-one;N-(4-methoxyphenyl)-2-nitrobenzamide;2-nitrobenzoic acid
SMILESCOc1ccc(-n2[nH]c3ccccc3c2=O)cc1.COc1ccc(-n2nc3ccccc3c2Cl)cc1.COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1.Clc1c2ccccc2nn1-c1ccc(OCCN2CCCCC2)cc1.O=C(O)c1ccccc1[N+](=O)[O-].Oc1ccc(-n2nc3ccccc3c2Cl)cc1
InChIInChI=1S/C20H22ClN3O.C14H11ClN2O.C14H12N2O4.C14H12N2O2.C13H9ClN2O.C7H5NO4/c21-20-18-6-2-3-7-19(18)22-24(20)16-8-10-17(11-9-16)25-15-14-23-12-4-1-5-13-23;1-18-11-8-6-10(7-9-11)17-14(15)12-4-2-3-5-13(12)16-17;1-20-11-8-6-10(7-9-11)15-14(17)12-4-2-3-5-13(12)16(18)19;1-18-11-8-6-10(7-9-11)16-14(17)12-4-2-3-5-13(12)15-16;14-13-11-3-1-2-4-12(11)15-16(13)9-5-7-10(17)8-6-9;9-7(10)5-3-1-2-4-6(5)8(11)12/h2-3,6-11H,1,4-5,12-15H2;2-9H,1H3;2-9H,1H3,(H,15,17);2-9,15H,1H3;1-8,17H;1-4H,(H,9,10)
InChIKeyZOFXDBWQMZMRBY-UHFFFAOYSA-N
XLogP18.09
TPSA304.32 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001538.90
LogP ≤ 518.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-(4-methoxyphenyl)-1H-indazol-3-one;4-chloro-N-(4-methoxyphenyl)-2-nitrobenzamide;4-chloro-2-nitrobenzoic acid;4-(3,6-dichloroindazol-2-yl)phenol;2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]-1H-indazol-3-one;hydrochloride
CID 157606099
ethane;ethyl 4-[3-(4-nitrophenoxy)indazol-1-yl]benzoate;ethyl 4-(3-oxo-2H-indazol-1-yl)benzoate;ethyl 4-(3-phenoxyindazol-1-yl)benzoate;1-methyl-4-nitrobenzene;4-(3-phenoxyindazol-1-yl)benzoic acid
CID 162003313

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroindazol-2-yl)phenol;3-chloro-2-(4-methoxyphenyl)indazole;3-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]indazole;2-(4-methoxyphenyl)-1H-indazol-3-one;N-(4-methoxyphenyl)-2-nitrobenzamide;2-nitrobenzoic acid?
The IUPAC name of 4-(3-chloroindazol-2-yl)phenol;3-chloro-2-(4-methoxyphenyl)indazole;3-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]indazole;2-(4-methoxyphenyl)-1H-indazol-3-one;N-(4-methoxyphenyl)-2-nitrobenzamide;2-nitrobenzoic acid (CID 160779905) is 4-(3-chloroindazol-2-yl)phenol;3-chloro-2-(4-methoxyphenyl)indazole;3-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]indazole;2-(4-methoxyphenyl)-1H-indazol-3-one;N-(4-methoxyphenyl)-2-nitrobenzamide;2-nitrobenzoic acid.
What is the SMILES notation for 4-(3-chloroindazol-2-yl)phenol;3-chloro-2-(4-methoxyphenyl)indazole;3-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]indazole;2-(4-methoxyphenyl)-1H-indazol-3-one;N-(4-methoxyphenyl)-2-nitrobenzamide;2-nitrobenzoic acid?
The canonical SMILES for 4-(3-chloroindazol-2-yl)phenol;3-chloro-2-(4-methoxyphenyl)indazole;3-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]indazole;2-(4-methoxyphenyl)-1H-indazol-3-one;N-(4-methoxyphenyl)-2-nitrobenzamide;2-nitrobenzoic acid is COc1ccc(-n2[nH]c3ccccc3c2=O)cc1.COc1ccc(-n2nc3ccccc3c2Cl)cc1.COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1.Clc1c2ccccc2nn1-c1ccc(OCCN2CCCCC2)cc1.O=C(O)c1ccccc1[N+](=O)[O-].Oc1ccc(-n2nc3ccccc3c2Cl)cc1.
What is the InChIKey of 4-(3-chloroindazol-2-yl)phenol;3-chloro-2-(4-methoxyphenyl)indazole;3-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]indazole;2-(4-methoxyphenyl)-1H-indazol-3-one;N-(4-methoxyphenyl)-2-nitrobenzamide;2-nitrobenzoic acid?
The InChIKey is ZOFXDBWQMZMRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O.C14H11ClN2O.C14H12N2O4.C14H12N2O2.C13H9ClN2O.C7H5NO4/c21-20-18-6-2-3-7-19(18)22-24(20)16-8-10-17(11-9-16)25-15-14-23-12-4-1-5-13-23;1-18-11-8-6-10(7-9-11)17-14(15)12-4-2-3-5-13(12)16-17;1-20-11-8-6-10(7-9-11)15-14(17)12-4-2-3-5-13(12)16(18)19;1-18-11-8-6-10(7-9-11)16-14(17)12-4-2-3-5-13(12)15-16;14-13-11-3-1-2-4-12(11)15-16(13)9-5-7-10(17)8-6-9;9-7(10)5-3-1-2-4-6(5)8(11)12/h2-3,6-11H,1,4-5,12-15H2;2-9H,1H3;2-9H,1H3,(H,15,17);2-9,15H,1H3;1-8,17H;1-4H,(H,9,10).
What are the key properties of 4-(3-chloroindazol-2-yl)phenol;3-chloro-2-(4-methoxyphenyl)indazole;3-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]indazole;2-(4-methoxyphenyl)-1H-indazol-3-one;N-(4-methoxyphenyl)-2-nitrobenzamide;2-nitrobenzoic acid?
4-(3-chloroindazol-2-yl)phenol;3-chloro-2-(4-methoxyphenyl)indazole;3-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]indazole;2-(4-methoxyphenyl)-1H-indazol-3-one;N-(4-methoxyphenyl)-2-nitrobenzamide;2-nitrobenzoic acid has a molecular weight of 1538.90 g/mol, XLogP of 18.09, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroindazol-2-yl)phenol;3-chloro-2-(4-methoxyphenyl)indazole;3-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]indazole;2-(4-methoxyphenyl)-1H-indazol-3-one;N-(4-methoxyphenyl)-2-nitrobenzamide;2-nitrobenzoic acid is sourced from PubChem (CID 160779905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).