2-fluoro-5-[(2S)-piperazin-2-yl]pyridin-3-amine

C9H13FN4 — CID 131196528

IUPAC2-fluoro-5-[(2S)-piperazin-2-yl]pyridin-3-amine
SMILESNc1cc([C@H]2CNCCN2)cnc1F
InChIInChI=1S/C9H13FN4/c10-9-7(11)3-6(4-14-9)8-5-12-1-2-13-8/h3-4,8,12-13H,1-2,5,11H2/t8-/m1/s1
InChIKeyNWJUACZVDUHIHO-MRVPVSSYSA-N
MW196.23 g/mol
LogP0.04
Rot. Bonds1

About 2-fluoro-5-[(2S)-piperazin-2-yl]pyridin-3-amine

2-fluoro-5-[(2S)-piperazin-2-yl]pyridin-3-amine (PubChem CID 131196528) has the molecular formula C9H13FN4 and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-fluoro-5-[(2S)-piperazin-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-fluoro-5-[(2S)-piperazin-2-yl]pyridin-3-amine
PubChem CID131196528
Molecular FormulaC9H13FN4
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Name2-fluoro-5-[(2S)-piperazin-2-yl]pyridin-3-amine
SMILESNc1cc([C@H]2CNCCN2)cnc1F
InChIInChI=1S/C9H13FN4/c10-9-7(11)3-6(4-14-9)8-5-12-1-2-13-8/h3-4,8,12-13H,1-2,5,11H2/t8-/m1/s1
InChIKeyNWJUACZVDUHIHO-MRVPVSSYSA-N
XLogP0.04
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(5-fluoro-3-pyridinyl)piperazine
CID 55265229
5-methyl-3-[(2S)-piperazin-2-yl]pyridin-2-amine
CID 55273528
3-piperazin-2-ylaniline
CID 45099675
6-[(2R)-piperazin-2-yl]pyridin-3-amine
CID 130741907
(2R)-2-(5-chloro-3-pyridinyl)piperazine
CID 55273838
(2R)-2-(2-fluoro-3-pyridinyl)piperazine
CID 131149861
5-[(2R)-azetidin-2-yl]-2-fluoro-3-methylpyridine
CID 131197527
2-fluoro-3-methyl-5-[(2S)-piperidin-2-yl]pyridine
CID 55276215
2-methyl-3-piperazin-2-ylaniline
CID 122512540
2-fluoro-4-[(2R)-piperazin-2-yl]phenol
CID 130910870
3-methyl-4-[(2S)-piperazin-2-yl]aniline
CID 130956222
(2R)-2-(4-fluoro-3-methylphenyl)piperazine;hydrochloride
CID 171194333

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(2S)-piperazin-2-yl]pyridin-3-amine?
The IUPAC name of 2-fluoro-5-[(2S)-piperazin-2-yl]pyridin-3-amine (CID 131196528) is 2-fluoro-5-[(2S)-piperazin-2-yl]pyridin-3-amine.
What is the SMILES notation for 2-fluoro-5-[(2S)-piperazin-2-yl]pyridin-3-amine?
The canonical SMILES for 2-fluoro-5-[(2S)-piperazin-2-yl]pyridin-3-amine is Nc1cc([C@H]2CNCCN2)cnc1F.
What is the InChIKey of 2-fluoro-5-[(2S)-piperazin-2-yl]pyridin-3-amine?
The InChIKey is NWJUACZVDUHIHO-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13FN4/c10-9-7(11)3-6(4-14-9)8-5-12-1-2-13-8/h3-4,8,12-13H,1-2,5,11H2/t8-/m1/s1.
What are the key properties of 2-fluoro-5-[(2S)-piperazin-2-yl]pyridin-3-amine?
2-fluoro-5-[(2S)-piperazin-2-yl]pyridin-3-amine has a molecular weight of 196.23 g/mol, XLogP of 0.04, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(2S)-piperazin-2-yl]pyridin-3-amine is sourced from PubChem (CID 131196528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).