(3S)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;hydrochloride

C9H13ClFN3O — CID 140703881

IUPAC(3S)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.Nc1cnc(N2CC[C@H](O)C2)c(F)c1
InChIInChI=1S/C9H12FN3O.ClH/c10-8-3-6(11)4-12-9(8)13-2-1-7(14)5-13;/h3-4,7,14H,1-2,5,11H2;1H/t7-;/m0./s1
InChIKeyWCSQZDROWNAYFZ-FJXQXJEOSA-N
MW233.67 g/mol
LogP0.80
Rot. Bonds1

About (3S)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;hydrochloride

(3S)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;hydrochloride (PubChem CID 140703881) has the molecular formula C9H13ClFN3O and a molecular weight of 233.67 g/mol. Its IUPAC name is (3S)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;hydrochloride
PubChem CID140703881
Molecular FormulaC9H13ClFN3O
Molecular Weight233.67 g/mol
Exact Mass233.07
IUPAC Name(3S)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.Nc1cnc(N2CC[C@H](O)C2)c(F)c1
InChIInChI=1S/C9H12FN3O.ClH/c10-8-3-6(11)4-12-9(8)13-2-1-7(14)5-13;/h3-4,7,14H,1-2,5,11H2;1H/t7-;/m0./s1
InChIKeyWCSQZDROWNAYFZ-FJXQXJEOSA-N
XLogP0.80
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of (3S)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;hydrochloride (CID 140703881) is (3S)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for (3S)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for (3S)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;hydrochloride is Cl.Nc1cnc(N2CC[C@H](O)C2)c(F)c1.
What is the InChIKey of (3S)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is WCSQZDROWNAYFZ-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H12FN3O.ClH/c10-8-3-6(11)4-12-9(8)13-2-1-7(14)5-13;/h3-4,7,14H,1-2,5,11H2;1H/t7-;/m0./s1.
What are the key properties of (3S)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;hydrochloride?
(3S)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 233.67 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 140703881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).