N-(2-fluoro-4-hydroxyphenyl)-4-nitro-1H-pyrrole-2-carboxamide

C11H8FN3O4 — CID 64786494

IUPACN-(2-fluoro-4-hydroxyphenyl)-4-nitro-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(O)cc1F)c1cc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C11H8FN3O4/c12-8-4-7(16)1-2-9(8)14-11(17)10-3-6(5-13-10)15(18)19/h1-5,13,16H,(H,14,17)
InChIKeyLBCVOWJMCVGTPU-UHFFFAOYSA-N
MW265.20 g/mol
LogP2.02
Rot. Bonds3

About N-(2-fluoro-4-hydroxyphenyl)-4-nitro-1H-pyrrole-2-carboxamide

N-(2-fluoro-4-hydroxyphenyl)-4-nitro-1H-pyrrole-2-carboxamide (PubChem CID 64786494) has the molecular formula C11H8FN3O4 and a molecular weight of 265.20 g/mol. Its IUPAC name is N-(2-fluoro-4-hydroxyphenyl)-4-nitro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-hydroxyphenyl)-4-nitro-1H-pyrrole-2-carboxamide
PubChem CID64786494
Molecular FormulaC11H8FN3O4
Molecular Weight265.20 g/mol
Exact Mass265.05
IUPAC NameN-(2-fluoro-4-hydroxyphenyl)-4-nitro-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(O)cc1F)c1cc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C11H8FN3O4/c12-8-4-7(16)1-2-9(8)14-11(17)10-3-6(5-13-10)15(18)19/h1-5,13,16H,(H,14,17)
InChIKeyLBCVOWJMCVGTPU-UHFFFAOYSA-N
XLogP2.02
TPSA108.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'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 N-(2-fluoro-4-hydroxyphenyl)-4-nitro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2-fluoro-4-hydroxyphenyl)-4-nitro-1H-pyrrole-2-carboxamide (CID 64786494) is N-(2-fluoro-4-hydroxyphenyl)-4-nitro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-hydroxyphenyl)-4-nitro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2-fluoro-4-hydroxyphenyl)-4-nitro-1H-pyrrole-2-carboxamide is O=C(Nc1ccc(O)cc1F)c1cc([N+](=O)[O-])c[nH]1.
What is the InChIKey of N-(2-fluoro-4-hydroxyphenyl)-4-nitro-1H-pyrrole-2-carboxamide?
The InChIKey is LBCVOWJMCVGTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O4/c12-8-4-7(16)1-2-9(8)14-11(17)10-3-6(5-13-10)15(18)19/h1-5,13,16H,(H,14,17).
What are the key properties of N-(2-fluoro-4-hydroxyphenyl)-4-nitro-1H-pyrrole-2-carboxamide?
N-(2-fluoro-4-hydroxyphenyl)-4-nitro-1H-pyrrole-2-carboxamide has a molecular weight of 265.20 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-hydroxyphenyl)-4-nitro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 64786494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).