3-fluoro-6-nitro-2-[(2R)-pyrrolidin-2-yl]phenol

C10H11FN2O3 — CID 66519065

IUPAC3-fluoro-6-nitro-2-[(2R)-pyrrolidin-2-yl]phenol
SMILESO=[N+]([O-])c1ccc(F)c([C@H]2CCCN2)c1O
InChIInChI=1S/C10H11FN2O3/c11-6-3-4-8(13(15)16)10(14)9(6)7-2-1-5-12-7/h3-4,7,12,14H,1-2,5H2/t7-/m1/s1
InChIKeyQAKHMOUZHXMUSJ-SSDOTTSWSA-N
MW226.21 g/mol
LogP1.86
Rot. Bonds2

About 3-fluoro-6-nitro-2-[(2R)-pyrrolidin-2-yl]phenol

3-fluoro-6-nitro-2-[(2R)-pyrrolidin-2-yl]phenol (PubChem CID 66519065) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is 3-fluoro-6-nitro-2-[(2R)-pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name3-fluoro-6-nitro-2-[(2R)-pyrrolidin-2-yl]phenol
PubChem CID66519065
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name3-fluoro-6-nitro-2-[(2R)-pyrrolidin-2-yl]phenol
SMILESO=[N+]([O-])c1ccc(F)c([C@H]2CCCN2)c1O
InChIInChI=1S/C10H11FN2O3/c11-6-3-4-8(13(15)16)10(14)9(6)7-2-1-5-12-7/h3-4,7,12,14H,1-2,5H2/t7-/m1/s1
InChIKeyQAKHMOUZHXMUSJ-SSDOTTSWSA-N
XLogP1.86
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methyl-3-nitro-2-[(2R)-pyrrolidin-2-yl]phenol
CID 131336256
2,4-difluoro-3-pyrrolidin-2-ylphenol
CID 84775150
3-nitro-5-[(2R)-pyrrolidin-2-yl]benzene-1,2-diol;hydrochloride
CID 171195837
(2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride
CID 171195941
(2S)-2-(5-chloro-2-nitrophenyl)piperidine
CID 131335859
2-[(2S)-azetidin-2-yl]-6-chloro-3-nitrophenol
CID 131374449
(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496
(2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride
CID 171196031
2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride
CID 138040825
4-hydroxy-3-nitro-5-[(2S)-pyrrolidin-2-yl]benzonitrile
CID 171259776
(2S)-2-(4-fluoro-2-nitrophenyl)piperidine
CID 131395482
(2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride
CID 171196413

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-nitro-2-[(2R)-pyrrolidin-2-yl]phenol?
The IUPAC name of 3-fluoro-6-nitro-2-[(2R)-pyrrolidin-2-yl]phenol (CID 66519065) is 3-fluoro-6-nitro-2-[(2R)-pyrrolidin-2-yl]phenol.
What is the SMILES notation for 3-fluoro-6-nitro-2-[(2R)-pyrrolidin-2-yl]phenol?
The canonical SMILES for 3-fluoro-6-nitro-2-[(2R)-pyrrolidin-2-yl]phenol is O=[N+]([O-])c1ccc(F)c([C@H]2CCCN2)c1O.
What is the InChIKey of 3-fluoro-6-nitro-2-[(2R)-pyrrolidin-2-yl]phenol?
The InChIKey is QAKHMOUZHXMUSJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11FN2O3/c11-6-3-4-8(13(15)16)10(14)9(6)7-2-1-5-12-7/h3-4,7,12,14H,1-2,5H2/t7-/m1/s1.
What are the key properties of 3-fluoro-6-nitro-2-[(2R)-pyrrolidin-2-yl]phenol?
3-fluoro-6-nitro-2-[(2R)-pyrrolidin-2-yl]phenol has a molecular weight of 226.21 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-nitro-2-[(2R)-pyrrolidin-2-yl]phenol is sourced from PubChem (CID 66519065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).