[1-(3-bromo-5-nitro-2-pyridinyl)piperidin-2-yl]methanol

C11H14BrN3O3 — CID 79523718

IUPAC[1-(3-bromo-5-nitro-2-pyridinyl)piperidin-2-yl]methanol
SMILESO=[N+]([O-])c1cnc(N2CCCCC2CO)c(Br)c1
InChIInChI=1S/C11H14BrN3O3/c12-10-5-9(15(17)18)6-13-11(10)14-4-2-1-3-8(14)7-16/h5-6,8,16H,1-4,7H2
InChIKeyCSCWZXYJXMAPHH-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.10
Rot. Bonds3

About [1-(3-bromo-5-nitro-2-pyridinyl)piperidin-2-yl]methanol

[1-(3-bromo-5-nitro-2-pyridinyl)piperidin-2-yl]methanol (PubChem CID 79523718) has the molecular formula C11H14BrN3O3 and a molecular weight of 316.16 g/mol. Its IUPAC name is [1-(3-bromo-5-nitro-2-pyridinyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-bromo-5-nitro-2-pyridinyl)piperidin-2-yl]methanol
PubChem CID79523718
Molecular FormulaC11H14BrN3O3
Molecular Weight316.16 g/mol
Exact Mass315.02
IUPAC Name[1-(3-bromo-5-nitro-2-pyridinyl)piperidin-2-yl]methanol
SMILESO=[N+]([O-])c1cnc(N2CCCCC2CO)c(Br)c1
InChIInChI=1S/C11H14BrN3O3/c12-10-5-9(15(17)18)6-13-11(10)14-4-2-1-3-8(14)7-16/h5-6,8,16H,1-4,7H2
InChIKeyCSCWZXYJXMAPHH-UHFFFAOYSA-N
XLogP2.10
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.10
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

[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-2-yl]methanol
CID 114836463
(2R)-1-(3-bromo-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965048
3-[1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol
CID 62477248
1-(3-bromo-5-nitro-2-pyridinyl)piperidin-4-ol
CID 79523536
[1-(2-amino-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol
CID 114044486
6-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-nitropyridine-3-carboxylic acid
CID 81438512
methyl 2-[1-(3-chloro-5-nitro-2-pyridinyl)piperidin-2-yl]acetate
CID 103867369
1-(3-methyl-5-nitro-2-pyridinyl)piperidine-2-carboxylic acid
CID 62477365
[1-(6-amino-5-nitropyrimidin-4-yl)azepan-2-yl]methanol
CID 116640711
[1-(5-bromo-4-fluoro-2-nitrophenyl)piperidin-2-yl]methanol
CID 116739629
[1-(2-iodo-4-nitrophenyl)piperidin-2-yl]methanol
CID 66093918
2-(3-bromo-5-nitro-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102892213

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-nitro-2-pyridinyl)piperidin-2-yl]methanol?
The IUPAC name of [1-(3-bromo-5-nitro-2-pyridinyl)piperidin-2-yl]methanol (CID 79523718) is [1-(3-bromo-5-nitro-2-pyridinyl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(3-bromo-5-nitro-2-pyridinyl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(3-bromo-5-nitro-2-pyridinyl)piperidin-2-yl]methanol is O=[N+]([O-])c1cnc(N2CCCCC2CO)c(Br)c1.
What is the InChIKey of [1-(3-bromo-5-nitro-2-pyridinyl)piperidin-2-yl]methanol?
The InChIKey is CSCWZXYJXMAPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O3/c12-10-5-9(15(17)18)6-13-11(10)14-4-2-1-3-8(14)7-16/h5-6,8,16H,1-4,7H2.
What are the key properties of [1-(3-bromo-5-nitro-2-pyridinyl)piperidin-2-yl]methanol?
[1-(3-bromo-5-nitro-2-pyridinyl)piperidin-2-yl]methanol has a molecular weight of 316.16 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-5-nitro-2-pyridinyl)piperidin-2-yl]methanol is sourced from PubChem (CID 79523718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).