(2-chlorophenyl)-(5-nitroindazol-1-yl)methanone

C14H8ClN3O3 — CID 155515530

IUPAC(2-chlorophenyl)-(5-nitroindazol-1-yl)methanone
SMILESO=C(c1ccccc1Cl)n1ncc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H8ClN3O3/c15-12-4-2-1-3-11(12)14(19)17-13-6-5-10(18(20)21)7-9(13)8-16-17/h1-8H
InChIKeyCLYOKOCAZUNNKG-UHFFFAOYSA-N
MW301.69 g/mol
LogP3.29
Rot. Bonds2

About (2-chlorophenyl)-(5-nitroindazol-1-yl)methanone

(2-chlorophenyl)-(5-nitroindazol-1-yl)methanone (PubChem CID 155515530) has the molecular formula C14H8ClN3O3 and a molecular weight of 301.69 g/mol. Its IUPAC name is (2-chlorophenyl)-(5-nitroindazol-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(5-nitroindazol-1-yl)methanone
PubChem CID155515530
Molecular FormulaC14H8ClN3O3
Molecular Weight301.69 g/mol
Exact Mass301.03
IUPAC Name(2-chlorophenyl)-(5-nitroindazol-1-yl)methanone
SMILESO=C(c1ccccc1Cl)n1ncc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H8ClN3O3/c15-12-4-2-1-3-11(12)14(19)17-13-6-5-10(18(20)21)7-9(13)8-16-17/h1-8H
InChIKeyCLYOKOCAZUNNKG-UHFFFAOYSA-N
XLogP3.29
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 53.29
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 (2-chlorophenyl)-(5-nitroindazol-1-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(5-nitroindazol-1-yl)methanone (CID 155515530) is (2-chlorophenyl)-(5-nitroindazol-1-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(5-nitroindazol-1-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(5-nitroindazol-1-yl)methanone is O=C(c1ccccc1Cl)n1ncc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of (2-chlorophenyl)-(5-nitroindazol-1-yl)methanone?
The InChIKey is CLYOKOCAZUNNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3O3/c15-12-4-2-1-3-11(12)14(19)17-13-6-5-10(18(20)21)7-9(13)8-16-17/h1-8H.
What are the key properties of (2-chlorophenyl)-(5-nitroindazol-1-yl)methanone?
(2-chlorophenyl)-(5-nitroindazol-1-yl)methanone has a molecular weight of 301.69 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(5-nitroindazol-1-yl)methanone is sourced from PubChem (CID 155515530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).