1-(2-fluoro-6-nitrophenyl)pyrrolidin-3-ol

C10H11FN2O3 — CID 75993954

IUPAC1-(2-fluoro-6-nitrophenyl)pyrrolidin-3-ol
SMILESO=[N+]([O-])c1cccc(F)c1N1CCC(O)C1
InChIInChI=1S/C10H11FN2O3/c11-8-2-1-3-9(13(15)16)10(8)12-5-4-7(14)6-12/h1-3,7,14H,4-6H2
InChIKeyJRYLCDDQJXVXBH-UHFFFAOYSA-N
MW226.21 g/mol
LogP1.30
Rot. Bonds2

About 1-(2-fluoro-6-nitrophenyl)pyrrolidin-3-ol

1-(2-fluoro-6-nitrophenyl)pyrrolidin-3-ol (PubChem CID 75993954) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is 1-(2-fluoro-6-nitrophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-fluoro-6-nitrophenyl)pyrrolidin-3-ol
PubChem CID75993954
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name1-(2-fluoro-6-nitrophenyl)pyrrolidin-3-ol
SMILESO=[N+]([O-])c1cccc(F)c1N1CCC(O)C1
InChIInChI=1S/C10H11FN2O3/c11-8-2-1-3-9(13(15)16)10(8)12-5-4-7(14)6-12/h1-3,7,14H,4-6H2
InChIKeyJRYLCDDQJXVXBH-UHFFFAOYSA-N
XLogP1.30
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 51.30
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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Related Compounds

(3S)-1-(2,3-difluoro-6-nitrophenyl)pyrrolidin-3-ol
CID 104892831
2-(3-hydroxypyrrolidin-1-yl)-3-nitrobenzoic acid
CID 112576914
1-(2,6-difluoro-4-nitrophenyl)pyrrolidin-3-ol
CID 58296081
methyl 1-(2-fluoro-6-nitrophenyl)piperidine-4-carboxylate
CID 67992187
tert-butyl 1-(2-fluoro-6-nitrophenyl)piperidine-4-carboxylate
CID 171061967
1-(5-fluoro-4-iodo-2-nitrophenyl)pyrrolidin-3-ol
CID 66101666
tert-butyl N-[[1-(2-fluoro-6-nitrophenyl)piperidin-4-yl]methyl]carbamate
CID 70649818
1-(3-nitrophenyl)pyrrolidin-3-ol
CID 62917312
1-(3-methyl-4-nitrophenyl)pyrrolidin-3-ol
CID 22320998
tert-butyl N-ethyl-N-[1-(2-fluoro-6-nitrophenyl)piperidin-3-yl]carbamate
CID 70650845
(3R)-1-(2,6-dichloro-4-nitrophenyl)pyrrolidin-3-ol
CID 103952620
(3S)-1-(5-methyl-2-nitrophenyl)pyrrolidin-3-ol
CID 103748333

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-nitrophenyl)pyrrolidin-3-ol?
The IUPAC name of 1-(2-fluoro-6-nitrophenyl)pyrrolidin-3-ol (CID 75993954) is 1-(2-fluoro-6-nitrophenyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-fluoro-6-nitrophenyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2-fluoro-6-nitrophenyl)pyrrolidin-3-ol is O=[N+]([O-])c1cccc(F)c1N1CCC(O)C1.
What is the InChIKey of 1-(2-fluoro-6-nitrophenyl)pyrrolidin-3-ol?
The InChIKey is JRYLCDDQJXVXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c11-8-2-1-3-9(13(15)16)10(8)12-5-4-7(14)6-12/h1-3,7,14H,4-6H2.
What are the key properties of 1-(2-fluoro-6-nitrophenyl)pyrrolidin-3-ol?
1-(2-fluoro-6-nitrophenyl)pyrrolidin-3-ol has a molecular weight of 226.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-nitrophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 75993954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).