6-chloro-N-(5-nitro-2-pyridinyl)-5-phenyl-1H-indazol-3-amine

C18H12ClN5O2 — CID 10361503

IUPAC6-chloro-N-(5-nitro-2-pyridinyl)-5-phenyl-1H-indazol-3-amine
SMILESO=[N+]([O-])c1ccc(Nc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)nc1
InChIInChI=1S/C18H12ClN5O2/c19-15-9-16-14(8-13(15)11-4-2-1-3-5-11)18(23-22-16)21-17-7-6-12(10-20-17)24(25)26/h1-10H,(H2,20,21,22,23)
InChIKeyOMDOTTSQZGOSBB-UHFFFAOYSA-N
MW365.78 g/mol
LogP4.93
Rot. Bonds4

About 6-chloro-N-(5-nitro-2-pyridinyl)-5-phenyl-1H-indazol-3-amine

6-chloro-N-(5-nitro-2-pyridinyl)-5-phenyl-1H-indazol-3-amine (PubChem CID 10361503) has the molecular formula C18H12ClN5O2 and a molecular weight of 365.78 g/mol. Its IUPAC name is 6-chloro-N-(5-nitro-2-pyridinyl)-5-phenyl-1H-indazol-3-amine.

Molecular Properties

Compound Name6-chloro-N-(5-nitro-2-pyridinyl)-5-phenyl-1H-indazol-3-amine
PubChem CID10361503
Molecular FormulaC18H12ClN5O2
Molecular Weight365.78 g/mol
Exact Mass365.07
IUPAC Name6-chloro-N-(5-nitro-2-pyridinyl)-5-phenyl-1H-indazol-3-amine
SMILESO=[N+]([O-])c1ccc(Nc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)nc1
InChIInChI=1S/C18H12ClN5O2/c19-15-9-16-14(8-13(15)11-4-2-1-3-5-11)18(23-22-16)21-17-7-6-12(10-20-17)24(25)26/h1-10H,(H2,20,21,22,23)
InChIKeyOMDOTTSQZGOSBB-UHFFFAOYSA-N
XLogP4.93
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-nitro-2-pyridinyl)-5-phenyl-1H-indazol-3-amine?
The IUPAC name of 6-chloro-N-(5-nitro-2-pyridinyl)-5-phenyl-1H-indazol-3-amine (CID 10361503) is 6-chloro-N-(5-nitro-2-pyridinyl)-5-phenyl-1H-indazol-3-amine.
What is the SMILES notation for 6-chloro-N-(5-nitro-2-pyridinyl)-5-phenyl-1H-indazol-3-amine?
The canonical SMILES for 6-chloro-N-(5-nitro-2-pyridinyl)-5-phenyl-1H-indazol-3-amine is O=[N+]([O-])c1ccc(Nc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)nc1.
What is the InChIKey of 6-chloro-N-(5-nitro-2-pyridinyl)-5-phenyl-1H-indazol-3-amine?
The InChIKey is OMDOTTSQZGOSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O2/c19-15-9-16-14(8-13(15)11-4-2-1-3-5-11)18(23-22-16)21-17-7-6-12(10-20-17)24(25)26/h1-10H,(H2,20,21,22,23).
What are the key properties of 6-chloro-N-(5-nitro-2-pyridinyl)-5-phenyl-1H-indazol-3-amine?
6-chloro-N-(5-nitro-2-pyridinyl)-5-phenyl-1H-indazol-3-amine has a molecular weight of 365.78 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-nitro-2-pyridinyl)-5-phenyl-1H-indazol-3-amine is sourced from PubChem (CID 10361503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).