4-chloro-7-nitro-1H-indazol-3-amine;2,6-dichlorobenzaldehyde;2,6-dichloro-3-nitrobenzaldehyde;2,6-dichloro-3-nitrobenzonitrile;N-[(2,6-dichloro-3-nitrophenyl)methylidene]hydroxylamine;hydrazine;hydroxylamine;hydrate;hydrochloride

C35H28Cl10N12O13 — CID 167636763

IUPAC4-chloro-7-nitro-1H-indazol-3-amine;2,6-dichlorobenzaldehyde;2,6-dichloro-3-nitrobenzaldehyde;2,6-dichloro-3-nitrobenzonitrile;N-[(2,6-dichloro-3-nitrophenyl)methylidene]hydroxylamine;hydrazine;hydroxylamine;hydrate;hydrochloride
SMILESCl.N#Cc1c(Cl)ccc([N+](=O)[O-])c1Cl.NN.NO.Nc1n[nH]c2c([N+](=O)[O-])ccc(Cl)c12.O.O=Cc1c(Cl)ccc([N+](=O)[O-])c1Cl.O=Cc1c(Cl)cccc1Cl.O=[N+]([O-])c1ccc(Cl)c(C=NO)c1Cl
InChIInChI=1S/C7H4Cl2N2O3.C7H2Cl2N2O2.C7H3Cl2NO3.C7H4Cl2O.C7H5ClN4O2.ClH.H4N2.H3NO.H2O/c8-5-1-2-6(11(13)14)7(9)4(5)3-10-12;8-5-1-2-6(11(12)13)7(9)4(5)3-10;8-5-1-2-6(10(12)13)7(9)4(5)3-11;8-6-2-1-3-7(9)5(6)4-10;8-3-1-2-4(12(13)14)6-5(3)7(9)11-10-6;;2*1-2;/h1-3,12H;1-2H;1-3H;1-4H;1-2H,(H3,9,10,11);1H;1-2H2;2H,1H2;1H2
InChIKeyVPHBADVZKZDGNM-UHFFFAOYSA-N
MW1179.21 g/mol
LogP10.46
Rot. Bonds7

About 4-chloro-7-nitro-1H-indazol-3-amine;2,6-dichlorobenzaldehyde;2,6-dichloro-3-nitrobenzaldehyde;2,6-dichloro-3-nitrobenzonitrile;N-[(2,6-dichloro-3-nitrophenyl)methylidene]hydroxylamine;hydrazine;hydroxylamine;hydrate;hydrochloride

4-chloro-7-nitro-1H-indazol-3-amine;2,6-dichlorobenzaldehyde;2,6-dichloro-3-nitrobenzaldehyde;2,6-dichloro-3-nitrobenzonitrile;N-[(2,6-dichloro-3-nitrophenyl)methylidene]hydroxylamine;hydrazine;hydroxylamine;hydrate;hydrochloride (PubChem CID 167636763) has the molecular formula C35H28Cl10N12O13 and a molecular weight of 1179.21 g/mol. Its IUPAC name is 4-chloro-7-nitro-1H-indazol-3-amine;2,6-dichlorobenzaldehyde;2,6-dichloro-3-nitrobenzaldehyde;2,6-dichloro-3-nitrobenzonitrile;N-[(2,6-dichloro-3-nitrophenyl)methylidene]hydroxylamine;hydrazine;hydroxylamine;hydrate;hydrochloride.

Molecular Properties

Compound Name4-chloro-7-nitro-1H-indazol-3-amine;2,6-dichlorobenzaldehyde;2,6-dichloro-3-nitrobenzaldehyde;2,6-dichloro-3-nitrobenzonitrile;N-[(2,6-dichloro-3-nitrophenyl)methylidene]hydroxylamine;hydrazine;hydroxylamine;hydrate;hydrochloride
PubChem CID167636763
Molecular FormulaC35H28Cl10N12O13
Molecular Weight1179.21 g/mol
Exact Mass1173.88
IUPAC Name4-chloro-7-nitro-1H-indazol-3-amine;2,6-dichlorobenzaldehyde;2,6-dichloro-3-nitrobenzaldehyde;2,6-dichloro-3-nitrobenzonitrile;N-[(2,6-dichloro-3-nitrophenyl)methylidene]hydroxylamine;hydrazine;hydroxylamine;hydrate;hydrochloride
SMILESCl.N#Cc1c(Cl)ccc([N+](=O)[O-])c1Cl.NN.NO.Nc1n[nH]c2c([N+](=O)[O-])ccc(Cl)c12.O.O=Cc1c(Cl)ccc([N+](=O)[O-])c1Cl.O=Cc1c(Cl)cccc1Cl.O=[N+]([O-])c1ccc(Cl)c(C=NO)c1Cl
InChIInChI=1S/C7H4Cl2N2O3.C7H2Cl2N2O2.C7H3Cl2NO3.C7H4Cl2O.C7H5ClN4O2.ClH.H4N2.H3NO.H2O/c8-5-1-2-6(11(13)14)7(9)4(5)3-10-12;8-5-1-2-6(11(12)13)7(9)4(5)3-10;8-5-1-2-6(10(12)13)7(9)4(5)3-11;8-6-2-1-3-7(9)5(6)4-10;8-3-1-2-4(12(13)14)6-5(3)7(9)11-10-6;;2*1-2;/h1-3,12H;1-2H;1-3H;1-4H;1-2H,(H3,9,10,11);1H;1-2H2;2H,1H2;1H2
InChIKeyVPHBADVZKZDGNM-UHFFFAOYSA-N
XLogP10.46
TPSA447.57 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001179.21
LogP ≤ 510.46
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Analyze 4-chloro-7-nitro-1H-indazol-3-amine;2,6-dichlorobenzaldehyde;2,6-dichloro-3-nitrobenzaldehyde;2,6-dichloro-3-nitrobenzonitrile;N-[(2,6-dichloro-3-nitrophenyl)methylidene]hydroxylamine;hydrazine;hydroxylamine;hydrate;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-nitro-1H-indazol-3-amine;2,6-dichlorobenzaldehyde;2,6-dichloro-3-nitrobenzaldehyde;2,6-dichloro-3-nitrobenzonitrile;N-[(2,6-dichloro-3-nitrophenyl)methylidene]hydroxylamine;hydrazine;hydroxylamine;hydrate;hydrochloride?
The IUPAC name of 4-chloro-7-nitro-1H-indazol-3-amine;2,6-dichlorobenzaldehyde;2,6-dichloro-3-nitrobenzaldehyde;2,6-dichloro-3-nitrobenzonitrile;N-[(2,6-dichloro-3-nitrophenyl)methylidene]hydroxylamine;hydrazine;hydroxylamine;hydrate;hydrochloride (CID 167636763) is 4-chloro-7-nitro-1H-indazol-3-amine;2,6-dichlorobenzaldehyde;2,6-dichloro-3-nitrobenzaldehyde;2,6-dichloro-3-nitrobenzonitrile;N-[(2,6-dichloro-3-nitrophenyl)methylidene]hydroxylamine;hydrazine;hydroxylamine;hydrate;hydrochloride.
What is the SMILES notation for 4-chloro-7-nitro-1H-indazol-3-amine;2,6-dichlorobenzaldehyde;2,6-dichloro-3-nitrobenzaldehyde;2,6-dichloro-3-nitrobenzonitrile;N-[(2,6-dichloro-3-nitrophenyl)methylidene]hydroxylamine;hydrazine;hydroxylamine;hydrate;hydrochloride?
The canonical SMILES for 4-chloro-7-nitro-1H-indazol-3-amine;2,6-dichlorobenzaldehyde;2,6-dichloro-3-nitrobenzaldehyde;2,6-dichloro-3-nitrobenzonitrile;N-[(2,6-dichloro-3-nitrophenyl)methylidene]hydroxylamine;hydrazine;hydroxylamine;hydrate;hydrochloride is Cl.N#Cc1c(Cl)ccc([N+](=O)[O-])c1Cl.NN.NO.Nc1n[nH]c2c([N+](=O)[O-])ccc(Cl)c12.O.O=Cc1c(Cl)ccc([N+](=O)[O-])c1Cl.O=Cc1c(Cl)cccc1Cl.O=[N+]([O-])c1ccc(Cl)c(C=NO)c1Cl.
What is the InChIKey of 4-chloro-7-nitro-1H-indazol-3-amine;2,6-dichlorobenzaldehyde;2,6-dichloro-3-nitrobenzaldehyde;2,6-dichloro-3-nitrobenzonitrile;N-[(2,6-dichloro-3-nitrophenyl)methylidene]hydroxylamine;hydrazine;hydroxylamine;hydrate;hydrochloride?
The InChIKey is VPHBADVZKZDGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2O3.C7H2Cl2N2O2.C7H3Cl2NO3.C7H4Cl2O.C7H5ClN4O2.ClH.H4N2.H3NO.H2O/c8-5-1-2-6(11(13)14)7(9)4(5)3-10-12;8-5-1-2-6(11(12)13)7(9)4(5)3-10;8-5-1-2-6(10(12)13)7(9)4(5)3-11;8-6-2-1-3-7(9)5(6)4-10;8-3-1-2-4(12(13)14)6-5(3)7(9)11-10-6;;2*1-2;/h1-3,12H;1-2H;1-3H;1-4H;1-2H,(H3,9,10,11);1H;1-2H2;2H,1H2;1H2.
What are the key properties of 4-chloro-7-nitro-1H-indazol-3-amine;2,6-dichlorobenzaldehyde;2,6-dichloro-3-nitrobenzaldehyde;2,6-dichloro-3-nitrobenzonitrile;N-[(2,6-dichloro-3-nitrophenyl)methylidene]hydroxylamine;hydrazine;hydroxylamine;hydrate;hydrochloride?
4-chloro-7-nitro-1H-indazol-3-amine;2,6-dichlorobenzaldehyde;2,6-dichloro-3-nitrobenzaldehyde;2,6-dichloro-3-nitrobenzonitrile;N-[(2,6-dichloro-3-nitrophenyl)methylidene]hydroxylamine;hydrazine;hydroxylamine;hydrate;hydrochloride has a molecular weight of 1179.21 g/mol, XLogP of 10.46, 7 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-nitro-1H-indazol-3-amine;2,6-dichlorobenzaldehyde;2,6-dichloro-3-nitrobenzaldehyde;2,6-dichloro-3-nitrobenzonitrile;N-[(2,6-dichloro-3-nitrophenyl)methylidene]hydroxylamine;hydrazine;hydroxylamine;hydrate;hydrochloride is sourced from PubChem (CID 167636763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).