1-(5-fluoro-4-iodo-2-nitrophenyl)pyrrolidin-3-ol

C10H10FIN2O3 — CID 66101666

IUPAC1-(5-fluoro-4-iodo-2-nitrophenyl)pyrrolidin-3-ol
SMILESO=[N+]([O-])c1cc(I)c(F)cc1N1CCC(O)C1
InChIInChI=1S/C10H10FIN2O3/c11-7-3-9(13-2-1-6(15)5-13)10(14(16)17)4-8(7)12/h3-4,6,15H,1-2,5H2
InChIKeyCESGDPWQIKJOEW-UHFFFAOYSA-N
MW352.10 g/mol
LogP1.91
Rot. Bonds2

About 1-(5-fluoro-4-iodo-2-nitrophenyl)pyrrolidin-3-ol

1-(5-fluoro-4-iodo-2-nitrophenyl)pyrrolidin-3-ol (PubChem CID 66101666) has the molecular formula C10H10FIN2O3 and a molecular weight of 352.10 g/mol. Its IUPAC name is 1-(5-fluoro-4-iodo-2-nitrophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-fluoro-4-iodo-2-nitrophenyl)pyrrolidin-3-ol
PubChem CID66101666
Molecular FormulaC10H10FIN2O3
Molecular Weight352.10 g/mol
Exact Mass351.97
IUPAC Name1-(5-fluoro-4-iodo-2-nitrophenyl)pyrrolidin-3-ol
SMILESO=[N+]([O-])c1cc(I)c(F)cc1N1CCC(O)C1
InChIInChI=1S/C10H10FIN2O3/c11-7-3-9(13-2-1-6(15)5-13)10(14(16)17)4-8(7)12/h3-4,6,15H,1-2,5H2
InChIKeyCESGDPWQIKJOEW-UHFFFAOYSA-N
XLogP1.91
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.10
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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

1-(5-fluoro-4-iodo-2-nitrophenyl)-4-methylpiperidin-3-ol
CID 102959237
1-(5-fluoro-4-iodo-2-nitrophenyl)azetidine-3-carboxylic acid
CID 66086940
1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-amine
CID 66101647
1-(2-iodo-5-methyl-4-nitrophenyl)pyrrolidin-3-ol
CID 58720907
1-(5-fluoro-4-iodo-2-nitrophenyl)-3-methylpiperazine
CID 66086754
2-[1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-yl]ethanol
CID 66101076
(3S)-1-(4-chloro-5-fluoro-2-nitrophenyl)piperidin-3-ol
CID 107225312
4-(5-fluoro-4-iodo-2-nitrophenyl)morpholine-2-carboxylic acid
CID 66088671
2-fluoro-4-(4-hydroxypiperidin-1-yl)-5-nitrobenzaldehyde
CID 118226374
2-[1-(5-fluoro-4-iodo-2-nitrophenyl)azetidin-3-yl]acetic acid
CID 66086945
2-[4-(5-fluoro-4-iodo-2-nitrophenyl)morpholin-2-yl]acetic acid
CID 66433636
(3S)-1-(5-methyl-2-nitrophenyl)pyrrolidin-3-ol
CID 103748333

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-iodo-2-nitrophenyl)pyrrolidin-3-ol?
The IUPAC name of 1-(5-fluoro-4-iodo-2-nitrophenyl)pyrrolidin-3-ol (CID 66101666) is 1-(5-fluoro-4-iodo-2-nitrophenyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(5-fluoro-4-iodo-2-nitrophenyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(5-fluoro-4-iodo-2-nitrophenyl)pyrrolidin-3-ol is O=[N+]([O-])c1cc(I)c(F)cc1N1CCC(O)C1.
What is the InChIKey of 1-(5-fluoro-4-iodo-2-nitrophenyl)pyrrolidin-3-ol?
The InChIKey is CESGDPWQIKJOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FIN2O3/c11-7-3-9(13-2-1-6(15)5-13)10(14(16)17)4-8(7)12/h3-4,6,15H,1-2,5H2.
What are the key properties of 1-(5-fluoro-4-iodo-2-nitrophenyl)pyrrolidin-3-ol?
1-(5-fluoro-4-iodo-2-nitrophenyl)pyrrolidin-3-ol has a molecular weight of 352.10 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-iodo-2-nitrophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 66101666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).