6-chloro-1-methylindazol-5-amine;6-chloro-2-methylindazol-5-amine;5-chloro-2-methyl-4-nitroaniline;6-chloro-1-methyl-5-nitroindazole;6-chloro-2-methyl-5-nitroindazole;6-chloro-5-nitro-1H-indazole

C46H39Cl6N17O8 — CID 158206042

IUPAC6-chloro-1-methylindazol-5-amine;6-chloro-2-methylindazol-5-amine;5-chloro-2-methyl-4-nitroaniline;6-chloro-1-methyl-5-nitroindazole;6-chloro-2-methyl-5-nitroindazole;6-chloro-5-nitro-1H-indazole
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1N.Cn1cc2cc(N)c(Cl)cc2n1.Cn1cc2cc([N+](=O)[O-])c(Cl)cc2n1.Cn1ncc2cc(N)c(Cl)cc21.Cn1ncc2cc([N+](=O)[O-])c(Cl)cc21.O=[N+]([O-])c1cc2cn[nH]c2cc1Cl
InChIInChI=1S/2C8H6ClN3O2.2C8H8ClN3.C7H4ClN3O2.C7H7ClN2O2/c1-11-4-5-2-8(12(13)14)6(9)3-7(5)10-11;1-11-7-3-6(9)8(12(13)14)2-5(7)4-10-11;1-12-4-5-2-7(10)6(9)3-8(5)11-12;1-12-8-3-6(9)7(10)2-5(8)4-11-12;8-5-2-6-4(3-9-10-6)1-7(5)11(12)13;1-4-2-7(10(11)12)5(8)3-6(4)9/h2*2-4H,1H3;2*2-4H,10H2,1H3;1-3H,(H,9,10);2-3H,9H2,1H3
InChIKeyGBMUZRSATWMYOG-UHFFFAOYSA-N
MW1170.65 g/mol
LogP12.15
Rot. Bonds4

About 6-chloro-1-methylindazol-5-amine;6-chloro-2-methylindazol-5-amine;5-chloro-2-methyl-4-nitroaniline;6-chloro-1-methyl-5-nitroindazole;6-chloro-2-methyl-5-nitroindazole;6-chloro-5-nitro-1H-indazole

6-chloro-1-methylindazol-5-amine;6-chloro-2-methylindazol-5-amine;5-chloro-2-methyl-4-nitroaniline;6-chloro-1-methyl-5-nitroindazole;6-chloro-2-methyl-5-nitroindazole;6-chloro-5-nitro-1H-indazole (PubChem CID 158206042) has the molecular formula C46H39Cl6N17O8 and a molecular weight of 1170.65 g/mol. Its IUPAC name is 6-chloro-1-methylindazol-5-amine;6-chloro-2-methylindazol-5-amine;5-chloro-2-methyl-4-nitroaniline;6-chloro-1-methyl-5-nitroindazole;6-chloro-2-methyl-5-nitroindazole;6-chloro-5-nitro-1H-indazole.

Molecular Properties

Compound Name6-chloro-1-methylindazol-5-amine;6-chloro-2-methylindazol-5-amine;5-chloro-2-methyl-4-nitroaniline;6-chloro-1-methyl-5-nitroindazole;6-chloro-2-methyl-5-nitroindazole;6-chloro-5-nitro-1H-indazole
PubChem CID158206042
Molecular FormulaC46H39Cl6N17O8
Molecular Weight1170.65 g/mol
Exact Mass1167.13
IUPAC Name6-chloro-1-methylindazol-5-amine;6-chloro-2-methylindazol-5-amine;5-chloro-2-methyl-4-nitroaniline;6-chloro-1-methyl-5-nitroindazole;6-chloro-2-methyl-5-nitroindazole;6-chloro-5-nitro-1H-indazole
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1N.Cn1cc2cc(N)c(Cl)cc2n1.Cn1cc2cc([N+](=O)[O-])c(Cl)cc2n1.Cn1ncc2cc(N)c(Cl)cc21.Cn1ncc2cc([N+](=O)[O-])c(Cl)cc21.O=[N+]([O-])c1cc2cn[nH]c2cc1Cl
InChIInChI=1S/2C8H6ClN3O2.2C8H8ClN3.C7H4ClN3O2.C7H7ClN2O2/c1-11-4-5-2-8(12(13)14)6(9)3-7(5)10-11;1-11-7-3-6(9)8(12(13)14)2-5(7)4-10-11;1-12-4-5-2-7(10)6(9)3-8(5)11-12;1-12-8-3-6(9)7(10)2-5(8)4-11-12;8-5-2-6-4(3-9-10-6)1-7(5)11(12)13;1-4-2-7(10(11)12)5(8)3-6(4)9/h2*2-4H,1H3;2*2-4H,10H2,1H3;1-3H,(H,9,10);2-3H,9H2,1H3
InChIKeyGBMUZRSATWMYOG-UHFFFAOYSA-N
XLogP12.15
TPSA350.58 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds4
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001170.65
LogP ≤ 512.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-chloro-1-methylindazol-5-amine;6-chloro-2-methylindazol-5-amine;5-chloro-2-methyl-4-nitroaniline;6-chloro-1-methyl-5-nitroindazole;6-chloro-2-methyl-5-nitroindazole;6-chloro-5-nitro-1H-indazole with MolForge

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Related Compounds

bis(1-(cyclohexylmethyl)-5-nitroindazole);5-nitro-1H-indazole
CID 158121214
1-benzylindazol-5-amine;1-benzyl-5-nitroindazole;2-benzyl-5-nitroindazole;bromomethylbenzene;methane;molecular hydrogen;5-nitro-1H-indazole
CID 158206146
1-benzylindazol-5-amine;1-benzyl-5-nitroindazole;2-benzyl-5-nitroindazole;bromomethylbenzene;deuterio(fluoro)methane;molecular hydrogen;5-nitro-1H-indazole
CID 158420467
N-[(4-chloro-2-nitrophenyl)methyl]-2-methylindazol-5-amine;2-methyl-N-[(2-nitrophenyl)methyl]indazol-5-amine
CID 160639694
N-[(4-chloro-2-nitrophenyl)methyl]-1-methylindazol-5-amine;N-[(2-nitrophenyl)methyl]-1H-indazol-5-amine
CID 161411369
bis(3-chloro-1-[(3-fluorophenyl)methyl]-5-nitroindazole);3-chloro-5-nitro-2H-indazole
CID 161507735
bis(1-[(6-chloro-3-pyridinyl)methyl]-5-nitroindazole);5-nitro-1H-indazole
CID 161600522

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methylindazol-5-amine;6-chloro-2-methylindazol-5-amine;5-chloro-2-methyl-4-nitroaniline;6-chloro-1-methyl-5-nitroindazole;6-chloro-2-methyl-5-nitroindazole;6-chloro-5-nitro-1H-indazole?
The IUPAC name of 6-chloro-1-methylindazol-5-amine;6-chloro-2-methylindazol-5-amine;5-chloro-2-methyl-4-nitroaniline;6-chloro-1-methyl-5-nitroindazole;6-chloro-2-methyl-5-nitroindazole;6-chloro-5-nitro-1H-indazole (CID 158206042) is 6-chloro-1-methylindazol-5-amine;6-chloro-2-methylindazol-5-amine;5-chloro-2-methyl-4-nitroaniline;6-chloro-1-methyl-5-nitroindazole;6-chloro-2-methyl-5-nitroindazole;6-chloro-5-nitro-1H-indazole.
What is the SMILES notation for 6-chloro-1-methylindazol-5-amine;6-chloro-2-methylindazol-5-amine;5-chloro-2-methyl-4-nitroaniline;6-chloro-1-methyl-5-nitroindazole;6-chloro-2-methyl-5-nitroindazole;6-chloro-5-nitro-1H-indazole?
The canonical SMILES for 6-chloro-1-methylindazol-5-amine;6-chloro-2-methylindazol-5-amine;5-chloro-2-methyl-4-nitroaniline;6-chloro-1-methyl-5-nitroindazole;6-chloro-2-methyl-5-nitroindazole;6-chloro-5-nitro-1H-indazole is Cc1cc([N+](=O)[O-])c(Cl)cc1N.Cn1cc2cc(N)c(Cl)cc2n1.Cn1cc2cc([N+](=O)[O-])c(Cl)cc2n1.Cn1ncc2cc(N)c(Cl)cc21.Cn1ncc2cc([N+](=O)[O-])c(Cl)cc21.O=[N+]([O-])c1cc2cn[nH]c2cc1Cl.
What is the InChIKey of 6-chloro-1-methylindazol-5-amine;6-chloro-2-methylindazol-5-amine;5-chloro-2-methyl-4-nitroaniline;6-chloro-1-methyl-5-nitroindazole;6-chloro-2-methyl-5-nitroindazole;6-chloro-5-nitro-1H-indazole?
The InChIKey is GBMUZRSATWMYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H6ClN3O2.2C8H8ClN3.C7H4ClN3O2.C7H7ClN2O2/c1-11-4-5-2-8(12(13)14)6(9)3-7(5)10-11;1-11-7-3-6(9)8(12(13)14)2-5(7)4-10-11;1-12-4-5-2-7(10)6(9)3-8(5)11-12;1-12-8-3-6(9)7(10)2-5(8)4-11-12;8-5-2-6-4(3-9-10-6)1-7(5)11(12)13;1-4-2-7(10(11)12)5(8)3-6(4)9/h2*2-4H,1H3;2*2-4H,10H2,1H3;1-3H,(H,9,10);2-3H,9H2,1H3.
What are the key properties of 6-chloro-1-methylindazol-5-amine;6-chloro-2-methylindazol-5-amine;5-chloro-2-methyl-4-nitroaniline;6-chloro-1-methyl-5-nitroindazole;6-chloro-2-methyl-5-nitroindazole;6-chloro-5-nitro-1H-indazole?
6-chloro-1-methylindazol-5-amine;6-chloro-2-methylindazol-5-amine;5-chloro-2-methyl-4-nitroaniline;6-chloro-1-methyl-5-nitroindazole;6-chloro-2-methyl-5-nitroindazole;6-chloro-5-nitro-1H-indazole has a molecular weight of 1170.65 g/mol, XLogP of 12.15, 4 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methylindazol-5-amine;6-chloro-2-methylindazol-5-amine;5-chloro-2-methyl-4-nitroaniline;6-chloro-1-methyl-5-nitroindazole;6-chloro-2-methyl-5-nitroindazole;6-chloro-5-nitro-1H-indazole is sourced from PubChem (CID 158206042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).