(3R)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;(3R)-1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidin-3-ol

C18H22F2N6O4 — CID 161147276

IUPAC(3R)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;(3R)-1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidin-3-ol
SMILESNc1cnc(N2CC[C@@H](O)C2)c(F)c1.O=[N+]([O-])c1cnc(N2CC[C@@H](O)C2)c(F)c1
InChIInChI=1S/C9H10FN3O3.C9H12FN3O/c10-8-3-6(13(15)16)4-11-9(8)12-2-1-7(14)5-12;10-8-3-6(11)4-12-9(8)13-2-1-7(14)5-13/h3-4,7,14H,1-2,5H2;3-4,7,14H,1-2,5,11H2/t2*7-/m11/s1
InChIKeyUOFKNHAHHCAZAQ-HFEGYEGKSA-N
MW424.41 g/mol
LogP1.07
Rot. Bonds3

About (3R)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;(3R)-1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidin-3-ol

(3R)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;(3R)-1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidin-3-ol (PubChem CID 161147276) has the molecular formula C18H22F2N6O4 and a molecular weight of 424.41 g/mol. Its IUPAC name is (3R)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;(3R)-1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;(3R)-1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidin-3-ol
PubChem CID161147276
Molecular FormulaC18H22F2N6O4
Molecular Weight424.41 g/mol
Exact Mass424.17
IUPAC Name(3R)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;(3R)-1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidin-3-ol
SMILESNc1cnc(N2CC[C@@H](O)C2)c(F)c1.O=[N+]([O-])c1cnc(N2CC[C@@H](O)C2)c(F)c1
InChIInChI=1S/C9H10FN3O3.C9H12FN3O/c10-8-3-6(13(15)16)4-11-9(8)12-2-1-7(14)5-12;10-8-3-6(11)4-12-9(8)13-2-1-7(14)5-13/h3-4,7,14H,1-2,5H2;3-4,7,14H,1-2,5,11H2/t2*7-/m11/s1
InChIKeyUOFKNHAHHCAZAQ-HFEGYEGKSA-N
XLogP1.07
TPSA141.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;hydrochloride
CID 140703881
1-(2,6-difluoro-4-nitrophenyl)pyrrolidin-3-ol
CID 58296081
1-(3-bromo-5-nitro-2-pyridinyl)piperidin-4-ol
CID 79523536
(3S)-1-(3-fluoro-5-nitro-2-pyridinyl)-3-methylpiperazine
CID 177354867
1-(3-methyl-5-nitro-2-pyridinyl)piperidin-4-ol
CID 62477755
1-(5-amino-3-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 62918540
1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 122058725
1-(3,5-difluoro-2-pyridinyl)piperidin-4-ol
CID 112676295
1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidine-3,4-diol
CID 106673378
3-fluoro-5-nitro-2-(triazol-1-yl)pyridine
CID 133058094
(3R)-1-(2,6-dichloro-4-nitrophenyl)pyrrolidin-3-ol
CID 103952620
1-(3,5-difluoro-2-nitrophenyl)pyrrolidin-3-ol
CID 113325746

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;(3R)-1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;(3R)-1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidin-3-ol (CID 161147276) is (3R)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;(3R)-1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;(3R)-1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;(3R)-1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidin-3-ol is Nc1cnc(N2CC[C@@H](O)C2)c(F)c1.O=[N+]([O-])c1cnc(N2CC[C@@H](O)C2)c(F)c1.
What is the InChIKey of (3R)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;(3R)-1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidin-3-ol?
The InChIKey is UOFKNHAHHCAZAQ-HFEGYEGKSA-N. The full InChI is InChI=1S/C9H10FN3O3.C9H12FN3O/c10-8-3-6(13(15)16)4-11-9(8)12-2-1-7(14)5-12;10-8-3-6(11)4-12-9(8)13-2-1-7(14)5-13/h3-4,7,14H,1-2,5H2;3-4,7,14H,1-2,5,11H2/t2*7-/m11/s1.
What are the key properties of (3R)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;(3R)-1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidin-3-ol?
(3R)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;(3R)-1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidin-3-ol has a molecular weight of 424.41 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;(3R)-1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidin-3-ol is sourced from PubChem (CID 161147276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).