3-nitro-2-piperidin-3-ylsulfanylpyridine;hydrochloride

C10H14ClN3O2S — CID 71635674

IUPAC3-nitro-2-piperidin-3-ylsulfanylpyridine;hydrochloride
SMILESCl.O=[N+]([O-])c1cccnc1SC1CCCNC1
InChIInChI=1S/C10H13N3O2S.ClH/c14-13(15)9-4-2-6-12-10(9)16-8-3-1-5-11-7-8;/h2,4,6,8,11H,1,3,5,7H2;1H
InChIKeyGTOZCWBFNLHBMK-UHFFFAOYSA-N
MW275.76 g/mol
LogP2.26
Rot. Bonds3

About 3-nitro-2-piperidin-3-ylsulfanylpyridine;hydrochloride

3-nitro-2-piperidin-3-ylsulfanylpyridine;hydrochloride (PubChem CID 71635674) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is 3-nitro-2-piperidin-3-ylsulfanylpyridine;hydrochloride.

Molecular Properties

Compound Name3-nitro-2-piperidin-3-ylsulfanylpyridine;hydrochloride
PubChem CID71635674
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name3-nitro-2-piperidin-3-ylsulfanylpyridine;hydrochloride
SMILESCl.O=[N+]([O-])c1cccnc1SC1CCCNC1
InChIInChI=1S/C10H13N3O2S.ClH/c14-13(15)9-4-2-6-12-10(9)16-8-3-1-5-11-7-8;/h2,4,6,8,11H,1,3,5,7H2;1H
InChIKeyGTOZCWBFNLHBMK-UHFFFAOYSA-N
XLogP2.26
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 52.26
H-Bond Donors ≤ 51
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-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile
CID 97165150
2-piperidin-3-ylsulfanylpyrimidine;hydrochloride
CID 71637401
3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635602
3-nitro-2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyridine
CID 97177798
3-nitro-2-piperidin-3-ylsulfonylpyridine
CID 71635609
N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine
CID 97164455
2-[(3S)-pyrrolidin-3-yl]sulfanylpyridine-3-carbonitrile
CID 71643635
3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635600
3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 53255983
3-nitro-2-[3-[(3R)-piperidin-3-yl]propoxy]pyridine
CID 97177823
3-nitro-2-pyrrolidin-3-ylsulfinylpyridine;hydrochloride
CID 71635648
3-nitro-2-[(3-nitro-2-pyridinyl)trisulfanyl]pyridine
CID 18670954

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-piperidin-3-ylsulfanylpyridine;hydrochloride?
The IUPAC name of 3-nitro-2-piperidin-3-ylsulfanylpyridine;hydrochloride (CID 71635674) is 3-nitro-2-piperidin-3-ylsulfanylpyridine;hydrochloride.
What is the SMILES notation for 3-nitro-2-piperidin-3-ylsulfanylpyridine;hydrochloride?
The canonical SMILES for 3-nitro-2-piperidin-3-ylsulfanylpyridine;hydrochloride is Cl.O=[N+]([O-])c1cccnc1SC1CCCNC1.
What is the InChIKey of 3-nitro-2-piperidin-3-ylsulfanylpyridine;hydrochloride?
The InChIKey is GTOZCWBFNLHBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S.ClH/c14-13(15)9-4-2-6-12-10(9)16-8-3-1-5-11-7-8;/h2,4,6,8,11H,1,3,5,7H2;1H.
What are the key properties of 3-nitro-2-piperidin-3-ylsulfanylpyridine;hydrochloride?
3-nitro-2-piperidin-3-ylsulfanylpyridine;hydrochloride has a molecular weight of 275.76 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-piperidin-3-ylsulfanylpyridine;hydrochloride is sourced from PubChem (CID 71635674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).