1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitroindazole

C13H6ClF3N4O2 — CID 1473929

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitroindazole
SMILESO=[N+]([O-])c1ccc2c(cnn2-c2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C13H6ClF3N4O2/c14-10-4-8(13(15,16)17)6-18-12(10)20-11-2-1-9(21(22)23)3-7(11)5-19-20/h1-6H
InChIKeyBPXODEWLQJNVOU-UHFFFAOYSA-N
MW342.66 g/mol
LogP4.00
Rot. Bonds2

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitroindazole

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitroindazole (PubChem CID 1473929) has the molecular formula C13H6ClF3N4O2 and a molecular weight of 342.66 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitroindazole.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitroindazole
PubChem CID1473929
Molecular FormulaC13H6ClF3N4O2
Molecular Weight342.66 g/mol
Exact Mass342.01
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitroindazole
SMILESO=[N+]([O-])c1ccc2c(cnn2-c2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C13H6ClF3N4O2/c14-10-4-8(13(15,16)17)6-18-12(10)20-11-2-1-9(21(22)23)3-7(11)5-19-20/h1-6H
InChIKeyBPXODEWLQJNVOU-UHFFFAOYSA-N
XLogP4.00
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.66
LogP ≤ 54.00
H-Bond Donors ≤ 50
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 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitroindazole?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitroindazole (CID 1473929) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitroindazole.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitroindazole?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitroindazole is O=[N+]([O-])c1ccc2c(cnn2-c2ncc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitroindazole?
The InChIKey is BPXODEWLQJNVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3N4O2/c14-10-4-8(13(15,16)17)6-18-12(10)20-11-2-1-9(21(22)23)3-7(11)5-19-20/h1-6H.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitroindazole?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitroindazole has a molecular weight of 342.66 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitroindazole is sourced from PubChem (CID 1473929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).