(4-indazol-1-yl-3-nitrophenyl)methanol

C14H11N3O3 — CID 62142480

IUPAC(4-indazol-1-yl-3-nitrophenyl)methanol
SMILESO=[N+]([O-])c1cc(CO)ccc1-n1ncc2ccccc21
InChIInChI=1S/C14H11N3O3/c18-9-10-5-6-13(14(7-10)17(19)20)16-12-4-2-1-3-11(12)8-15-16/h1-8,18H,9H2
InChIKeyMXFRZEZOFTZFPH-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.43
Rot. Bonds3

About (4-indazol-1-yl-3-nitrophenyl)methanol

(4-indazol-1-yl-3-nitrophenyl)methanol (PubChem CID 62142480) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is (4-indazol-1-yl-3-nitrophenyl)methanol.

Molecular Properties

Compound Name(4-indazol-1-yl-3-nitrophenyl)methanol
PubChem CID62142480
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name(4-indazol-1-yl-3-nitrophenyl)methanol
SMILESO=[N+]([O-])c1cc(CO)ccc1-n1ncc2ccccc21
InChIInChI=1S/C14H11N3O3/c18-9-10-5-6-13(14(7-10)17(19)20)16-12-4-2-1-3-11(12)8-15-16/h1-8,18H,9H2
InChIKeyMXFRZEZOFTZFPH-UHFFFAOYSA-N
XLogP2.43
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
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 (4-indazol-1-yl-3-nitrophenyl)methanol?
The IUPAC name of (4-indazol-1-yl-3-nitrophenyl)methanol (CID 62142480) is (4-indazol-1-yl-3-nitrophenyl)methanol.
What is the SMILES notation for (4-indazol-1-yl-3-nitrophenyl)methanol?
The canonical SMILES for (4-indazol-1-yl-3-nitrophenyl)methanol is O=[N+]([O-])c1cc(CO)ccc1-n1ncc2ccccc21.
What is the InChIKey of (4-indazol-1-yl-3-nitrophenyl)methanol?
The InChIKey is MXFRZEZOFTZFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-9-10-5-6-13(14(7-10)17(19)20)16-12-4-2-1-3-11(12)8-15-16/h1-8,18H,9H2.
What are the key properties of (4-indazol-1-yl-3-nitrophenyl)methanol?
(4-indazol-1-yl-3-nitrophenyl)methanol has a molecular weight of 269.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-indazol-1-yl-3-nitrophenyl)methanol is sourced from PubChem (CID 62142480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).