[1-(2-fluoro-4-nitrophenyl)pyrrol-2-yl]methanol

C11H9FN2O3 — CID 174455739

IUPAC[1-(2-fluoro-4-nitrophenyl)pyrrol-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(-n2cccc2CO)c(F)c1
InChIInChI=1S/C11H9FN2O3/c12-10-6-8(14(16)17)3-4-11(10)13-5-1-2-9(13)7-15/h1-6,15H,7H2
InChIKeyAZQIZOVRWBRMNB-UHFFFAOYSA-N
MW236.20 g/mol
LogP2.02
Rot. Bonds3

About [1-(2-fluoro-4-nitrophenyl)pyrrol-2-yl]methanol

[1-(2-fluoro-4-nitrophenyl)pyrrol-2-yl]methanol (PubChem CID 174455739) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is [1-(2-fluoro-4-nitrophenyl)pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-fluoro-4-nitrophenyl)pyrrol-2-yl]methanol
PubChem CID174455739
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name[1-(2-fluoro-4-nitrophenyl)pyrrol-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(-n2cccc2CO)c(F)c1
InChIInChI=1S/C11H9FN2O3/c12-10-6-8(14(16)17)3-4-11(10)13-5-1-2-9(13)7-15/h1-6,15H,7H2
InChIKeyAZQIZOVRWBRMNB-UHFFFAOYSA-N
XLogP2.02
TPSA68.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 52.02
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 [1-(2-fluoro-4-nitrophenyl)pyrrol-2-yl]methanol?
The IUPAC name of [1-(2-fluoro-4-nitrophenyl)pyrrol-2-yl]methanol (CID 174455739) is [1-(2-fluoro-4-nitrophenyl)pyrrol-2-yl]methanol.
What is the SMILES notation for [1-(2-fluoro-4-nitrophenyl)pyrrol-2-yl]methanol?
The canonical SMILES for [1-(2-fluoro-4-nitrophenyl)pyrrol-2-yl]methanol is O=[N+]([O-])c1ccc(-n2cccc2CO)c(F)c1.
What is the InChIKey of [1-(2-fluoro-4-nitrophenyl)pyrrol-2-yl]methanol?
The InChIKey is AZQIZOVRWBRMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c12-10-6-8(14(16)17)3-4-11(10)13-5-1-2-9(13)7-15/h1-6,15H,7H2.
What are the key properties of [1-(2-fluoro-4-nitrophenyl)pyrrol-2-yl]methanol?
[1-(2-fluoro-4-nitrophenyl)pyrrol-2-yl]methanol has a molecular weight of 236.20 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoro-4-nitrophenyl)pyrrol-2-yl]methanol is sourced from PubChem (CID 174455739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).