6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol

C11H6ClFN2O3 — CID 162441518

IUPAC6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol
SMILESO=[N+]([O-])c1nc(-c2cc(Cl)ccc2F)ccc1O
InChIInChI=1S/C11H6ClFN2O3/c12-6-1-2-8(13)7(5-6)9-3-4-10(16)11(14-9)15(17)18/h1-5,16H
InChIKeySYBPXTIXEHOQBZ-UHFFFAOYSA-N
MW268.63 g/mol
LogP3.15
Rot. Bonds2

About 6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol

6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol (PubChem CID 162441518) has the molecular formula C11H6ClFN2O3 and a molecular weight of 268.63 g/mol. Its IUPAC name is 6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol.

Molecular Properties

Compound Name6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol
PubChem CID162441518
Molecular FormulaC11H6ClFN2O3
Molecular Weight268.63 g/mol
Exact Mass268.01
IUPAC Name6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol
SMILESO=[N+]([O-])c1nc(-c2cc(Cl)ccc2F)ccc1O
InChIInChI=1S/C11H6ClFN2O3/c12-6-1-2-8(13)7(5-6)9-3-4-10(16)11(14-9)15(17)18/h1-5,16H
InChIKeySYBPXTIXEHOQBZ-UHFFFAOYSA-N
XLogP3.15
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.63
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol?
The IUPAC name of 6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol (CID 162441518) is 6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol.
What is the SMILES notation for 6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol?
The canonical SMILES for 6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol is O=[N+]([O-])c1nc(-c2cc(Cl)ccc2F)ccc1O.
What is the InChIKey of 6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol?
The InChIKey is SYBPXTIXEHOQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O3/c12-6-1-2-8(13)7(5-6)9-3-4-10(16)11(14-9)15(17)18/h1-5,16H.
What are the key properties of 6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol?
6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol has a molecular weight of 268.63 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol is sourced from PubChem (CID 162441518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).