1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine

C9H12FN3 — CID 66854552

IUPAC1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine
SMILESNC1CCN(c2ccc(F)nc2)C1
InChIInChI=1S/C9H12FN3/c10-9-2-1-8(5-12-9)13-4-3-7(11)6-13/h1-2,5,7H,3-4,6,11H2
InChIKeyJGGSORMGPHRYBO-UHFFFAOYSA-N
MW181.21 g/mol
LogP0.76
Rot. Bonds1

About 1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine

1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine (PubChem CID 66854552) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is 1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine
PubChem CID66854552
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine
SMILESNC1CCN(c2ccc(F)nc2)C1
InChIInChI=1S/C9H12FN3/c10-9-2-1-8(5-12-9)13-4-3-7(11)6-13/h1-2,5,7H,3-4,6,11H2
InChIKeyJGGSORMGPHRYBO-UHFFFAOYSA-N
XLogP0.76
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethane;1-(6-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 164882777
(3S)-1-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-3-amine
CID 130677279
3-(6-fluoro-3-pyridinyl)-9-methyl-3,9-diazabicyclo[3.3.1]nonane
CID 68700246
(3S)-1-(5,6-dichloro-3-pyridinyl)pyrrolidin-3-amine
CID 130693092
(3R)-1-(4-bromophenyl)pyrrolidin-3-amine
CID 51663652
(3R)-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285995
(3S)-1-(4-bromophenyl)pyrrolidin-3-amine
CID 51663654
(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 18725667
1-(4-bromo-3-fluorophenyl)pyrrolidin-3-amine
CID 65435771
(3R)-1-(6-chloro-5-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 131173225
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648
1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride
CID 91623879

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine?
The IUPAC name of 1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine (CID 66854552) is 1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine is NC1CCN(c2ccc(F)nc2)C1.
What is the InChIKey of 1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine?
The InChIKey is JGGSORMGPHRYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3/c10-9-2-1-8(5-12-9)13-4-3-7(11)6-13/h1-2,5,7H,3-4,6,11H2.
What are the key properties of 1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine?
1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine has a molecular weight of 181.21 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine is sourced from PubChem (CID 66854552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).