3-nitro-5-piperidin-2-ylpyridin-2-amine

C10H14N4O2 — CID 142970539

IUPAC3-nitro-5-piperidin-2-ylpyridin-2-amine
SMILESNc1ncc(C2CCCCN2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O2/c11-10-9(14(15)16)5-7(6-13-10)8-3-1-2-4-12-8/h5-6,8,12H,1-4H2,(H2,11,13)
InChIKeyGUERHKKKASJOLS-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.39
Rot. Bonds2

About 3-nitro-5-piperidin-2-ylpyridin-2-amine

3-nitro-5-piperidin-2-ylpyridin-2-amine (PubChem CID 142970539) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-nitro-5-piperidin-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3-nitro-5-piperidin-2-ylpyridin-2-amine
PubChem CID142970539
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name3-nitro-5-piperidin-2-ylpyridin-2-amine
SMILESNc1ncc(C2CCCCN2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O2/c11-10-9(14(15)16)5-7(6-13-10)8-3-1-2-4-12-8/h5-6,8,12H,1-4H2,(H2,11,13)
InChIKeyGUERHKKKASJOLS-UHFFFAOYSA-N
XLogP1.39
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-nitro-4-[(2R)-pyrrolidin-2-yl]aniline
CID 66518857
5-[(2R)-azetidin-2-yl]-2-chloro-3-nitropyridine
CID 130648559
5-piperidin-2-ylpyrimidin-2-amine
CID 82409904
3-methyl-5-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55274525
2-(5-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 116987778
(2R)-2-(4-methyl-3-nitrophenyl)pyrrolidine
CID 66518975
(2R)-2-(4-chloro-3-nitrophenyl)pyrrolidine;hydrochloride
CID 171195947
(2S)-2-(4-bromo-3-nitrophenyl)pyrrolidine;hydrochloride
CID 171196352
3-nitro-5-[(2R)-pyrrolidin-2-yl]benzene-1,2-diol;hydrochloride
CID 171195837
2-(3-methoxy-4-nitrophenyl)azepane
CID 113452612
(2R)-2-(2-nitrophenyl)piperidine;hydrochloride
CID 171195300
4-bromo-2-nitro-6-[(2S)-piperidin-2-yl]phenol;hydrochloride
CID 171195223

Frequently Asked Questions

What is the IUPAC name of 3-nitro-5-piperidin-2-ylpyridin-2-amine?
The IUPAC name of 3-nitro-5-piperidin-2-ylpyridin-2-amine (CID 142970539) is 3-nitro-5-piperidin-2-ylpyridin-2-amine.
What is the SMILES notation for 3-nitro-5-piperidin-2-ylpyridin-2-amine?
The canonical SMILES for 3-nitro-5-piperidin-2-ylpyridin-2-amine is Nc1ncc(C2CCCCN2)cc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-5-piperidin-2-ylpyridin-2-amine?
The InChIKey is GUERHKKKASJOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-10-9(14(15)16)5-7(6-13-10)8-3-1-2-4-12-8/h5-6,8,12H,1-4H2,(H2,11,13).
What are the key properties of 3-nitro-5-piperidin-2-ylpyridin-2-amine?
3-nitro-5-piperidin-2-ylpyridin-2-amine has a molecular weight of 222.25 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-5-piperidin-2-ylpyridin-2-amine is sourced from PubChem (CID 142970539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).