6-fluoro-3-(3-nitro-4-pyridinyl)cyclohex-2-en-1-ol

C11H11FN2O3 — CID 70981741

IUPAC6-fluoro-3-(3-nitro-4-pyridinyl)cyclohex-2-en-1-ol
SMILESO=[N+]([O-])c1cnccc1C1=CC(O)C(F)CC1
InChIInChI=1S/C11H11FN2O3/c12-9-2-1-7(5-11(9)15)8-3-4-13-6-10(8)14(16)17/h3-6,9,11,15H,1-2H2
InChIKeyCNGGXCRDZQIFCK-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.87
Rot. Bonds2

About 6-fluoro-3-(3-nitro-4-pyridinyl)cyclohex-2-en-1-ol

6-fluoro-3-(3-nitro-4-pyridinyl)cyclohex-2-en-1-ol (PubChem CID 70981741) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 6-fluoro-3-(3-nitro-4-pyridinyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name6-fluoro-3-(3-nitro-4-pyridinyl)cyclohex-2-en-1-ol
PubChem CID70981741
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name6-fluoro-3-(3-nitro-4-pyridinyl)cyclohex-2-en-1-ol
SMILESO=[N+]([O-])c1cnccc1C1=CC(O)C(F)CC1
InChIInChI=1S/C11H11FN2O3/c12-9-2-1-7(5-11(9)15)8-3-4-13-6-10(8)14(16)17/h3-6,9,11,15H,1-2H2
InChIKeyCNGGXCRDZQIFCK-UHFFFAOYSA-N
XLogP1.87
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.87
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-fluoro-3-(3-nitro-4-pyridinyl)cyclohex-2-en-1-ol?
The IUPAC name of 6-fluoro-3-(3-nitro-4-pyridinyl)cyclohex-2-en-1-ol (CID 70981741) is 6-fluoro-3-(3-nitro-4-pyridinyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 6-fluoro-3-(3-nitro-4-pyridinyl)cyclohex-2-en-1-ol?
The canonical SMILES for 6-fluoro-3-(3-nitro-4-pyridinyl)cyclohex-2-en-1-ol is O=[N+]([O-])c1cnccc1C1=CC(O)C(F)CC1.
What is the InChIKey of 6-fluoro-3-(3-nitro-4-pyridinyl)cyclohex-2-en-1-ol?
The InChIKey is CNGGXCRDZQIFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c12-9-2-1-7(5-11(9)15)8-3-4-13-6-10(8)14(16)17/h3-6,9,11,15H,1-2H2.
What are the key properties of 6-fluoro-3-(3-nitro-4-pyridinyl)cyclohex-2-en-1-ol?
6-fluoro-3-(3-nitro-4-pyridinyl)cyclohex-2-en-1-ol has a molecular weight of 238.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(3-nitro-4-pyridinyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 70981741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).