1-(3-bromo-5-nitro-2-pyridinyl)piperidin-4-ol

C10H12BrN3O3 — CID 79523536

IUPAC1-(3-bromo-5-nitro-2-pyridinyl)piperidin-4-ol
SMILESO=[N+]([O-])c1cnc(N2CCC(O)CC2)c(Br)c1
InChIInChI=1S/C10H12BrN3O3/c11-9-5-7(14(16)17)6-12-10(9)13-3-1-8(15)2-4-13/h5-6,8,15H,1-4H2
InChIKeyHSZWAMJJNMQCFK-UHFFFAOYSA-N
MW302.13 g/mol
LogP1.71
Rot. Bonds2

About 1-(3-bromo-5-nitro-2-pyridinyl)piperidin-4-ol

1-(3-bromo-5-nitro-2-pyridinyl)piperidin-4-ol (PubChem CID 79523536) has the molecular formula C10H12BrN3O3 and a molecular weight of 302.13 g/mol. Its IUPAC name is 1-(3-bromo-5-nitro-2-pyridinyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(3-bromo-5-nitro-2-pyridinyl)piperidin-4-ol
PubChem CID79523536
Molecular FormulaC10H12BrN3O3
Molecular Weight302.13 g/mol
Exact Mass301.01
IUPAC Name1-(3-bromo-5-nitro-2-pyridinyl)piperidin-4-ol
SMILESO=[N+]([O-])c1cnc(N2CCC(O)CC2)c(Br)c1
InChIInChI=1S/C10H12BrN3O3/c11-9-5-7(14(16)17)6-12-10(9)13-3-1-8(15)2-4-13/h5-6,8,15H,1-4H2
InChIKeyHSZWAMJJNMQCFK-UHFFFAOYSA-N
XLogP1.71
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 51.71
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-nitro-2-pyridinyl)piperidin-4-ol?
The IUPAC name of 1-(3-bromo-5-nitro-2-pyridinyl)piperidin-4-ol (CID 79523536) is 1-(3-bromo-5-nitro-2-pyridinyl)piperidin-4-ol.
What is the SMILES notation for 1-(3-bromo-5-nitro-2-pyridinyl)piperidin-4-ol?
The canonical SMILES for 1-(3-bromo-5-nitro-2-pyridinyl)piperidin-4-ol is O=[N+]([O-])c1cnc(N2CCC(O)CC2)c(Br)c1.
What is the InChIKey of 1-(3-bromo-5-nitro-2-pyridinyl)piperidin-4-ol?
The InChIKey is HSZWAMJJNMQCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O3/c11-9-5-7(14(16)17)6-12-10(9)13-3-1-8(15)2-4-13/h5-6,8,15H,1-4H2.
What are the key properties of 1-(3-bromo-5-nitro-2-pyridinyl)piperidin-4-ol?
1-(3-bromo-5-nitro-2-pyridinyl)piperidin-4-ol has a molecular weight of 302.13 g/mol, XLogP of 1.71, 2 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-4-ol is sourced from PubChem (CID 79523536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).