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

C12H15N7O2 — CID 86795055

IUPAC6-methyl-3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine
SMILESCc1ccc([N+](=O)[O-])c(N2CCCC(c3nn[nH]n3)C2)n1
InChIInChI=1S/C12H15N7O2/c1-8-4-5-10(19(20)21)12(13-8)18-6-2-3-9(7-18)11-14-16-17-15-11/h4-5,9H,2-3,6-7H2,1H3,(H,14,15,16,17)
InChIKeyIBWALRLSGXAGOC-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.20
Rot. Bonds3

About 6-methyl-3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine

6-methyl-3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine (PubChem CID 86795055) has the molecular formula C12H15N7O2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 6-methyl-3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name6-methyl-3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine
PubChem CID86795055
Molecular FormulaC12H15N7O2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name6-methyl-3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine
SMILESCc1ccc([N+](=O)[O-])c(N2CCCC(c3nn[nH]n3)C2)n1
InChIInChI=1S/C12H15N7O2/c1-8-4-5-10(19(20)21)12(13-8)18-6-2-3-9(7-18)11-14-16-17-15-11/h4-5,9H,2-3,6-7H2,1H3,(H,14,15,16,17)
InChIKeyIBWALRLSGXAGOC-UHFFFAOYSA-N
XLogP1.20
TPSA113.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.20
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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine?
The IUPAC name of 6-methyl-3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine (CID 86795055) is 6-methyl-3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine.
What is the SMILES notation for 6-methyl-3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine?
The canonical SMILES for 6-methyl-3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine is Cc1ccc([N+](=O)[O-])c(N2CCCC(c3nn[nH]n3)C2)n1.
What is the InChIKey of 6-methyl-3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine?
The InChIKey is IBWALRLSGXAGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O2/c1-8-4-5-10(19(20)21)12(13-8)18-6-2-3-9(7-18)11-14-16-17-15-11/h4-5,9H,2-3,6-7H2,1H3,(H,14,15,16,17).
What are the key properties of 6-methyl-3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine?
6-methyl-3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine has a molecular weight of 289.30 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine is sourced from PubChem (CID 86795055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).