3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine

C11H13N7O2 — CID 86784826

IUPAC3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine
SMILESO=[N+]([O-])c1cccnc1N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C11H13N7O2/c19-18(20)9-4-1-5-12-11(9)17-6-2-3-8(7-17)10-13-15-16-14-10/h1,4-5,8H,2-3,6-7H2,(H,13,14,15,16)
InChIKeyVFPXIDBVKHGYOA-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.89
Rot. Bonds3

About 3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine

3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine (PubChem CID 86784826) has the molecular formula C11H13N7O2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine
PubChem CID86784826
Molecular FormulaC11H13N7O2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine
SMILESO=[N+]([O-])c1cccnc1N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C11H13N7O2/c19-18(20)9-4-1-5-12-11(9)17-6-2-3-8(7-17)10-13-15-16-14-10/h1,4-5,8H,2-3,6-7H2,(H,13,14,15,16)
InChIKeyVFPXIDBVKHGYOA-UHFFFAOYSA-N
XLogP0.89
TPSA113.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

5-Nitro-2-piperidinopyridine
CID 97158
1-(3-Nitropyridin-2-yl)piperazine
CID 3778834
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-nitropyridine
CID 2740944
N-methyl-5-nitro-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 2848814
1-(5-Nitropyridin-2-yl)-4-phenylpiperazine
CID 2848979
3,5-Bisnitro-2-(1-piperidinyl)pyridine
CID 616531
5-Nitro-2-(1-pyrrolidinyl)pyridine
CID 316823
1-(3-Nitropyridin-2-yl)piperidine-4-carbonitrile
CID 2806149
1-(5-Nitropyridin-2-yl)piperazine
CID 2928799
4-N-(3-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine
CID 4231448
5-(3,5-Dimethylpiperidin-1-yl)-2-nitropyridine
CID 4780110
((1Z)-2-(3-pyridyl)-1-azavinyl)(5-nitro(2-pyridyl))amine
CID 6092914

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine?
The IUPAC name of 3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine (CID 86784826) is 3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine.
What is the SMILES notation for 3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine?
The canonical SMILES for 3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine is O=[N+]([O-])c1cccnc1N1CCCC(c2nn[nH]n2)C1.
What is the InChIKey of 3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine?
The InChIKey is VFPXIDBVKHGYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O2/c19-18(20)9-4-1-5-12-11(9)17-6-2-3-8(7-17)10-13-15-16-14-10/h1,4-5,8H,2-3,6-7H2,(H,13,14,15,16).
What are the key properties of 3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine?
3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine has a molecular weight of 275.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine is sourced from PubChem (CID 86784826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).