[1-(6-chloro-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol

C10H13ClN4O3 — CID 15993919

IUPAC[1-(6-chloro-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol
SMILESO=[N+]([O-])c1c(Cl)ncnc1N1CCCCC1CO
InChIInChI=1S/C10H13ClN4O3/c11-9-8(15(17)18)10(13-6-12-9)14-4-2-1-3-7(14)5-16/h6-7,16H,1-5H2
InChIKeyIYGXLQZHNKWSID-UHFFFAOYSA-N
MW272.69 g/mol
LogP1.39
Rot. Bonds3

About [1-(6-chloro-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol

[1-(6-chloro-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol (PubChem CID 15993919) has the molecular formula C10H13ClN4O3 and a molecular weight of 272.69 g/mol. Its IUPAC name is [1-(6-chloro-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(6-chloro-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol
PubChem CID15993919
Molecular FormulaC10H13ClN4O3
Molecular Weight272.69 g/mol
Exact Mass272.07
IUPAC Name[1-(6-chloro-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol
SMILESO=[N+]([O-])c1c(Cl)ncnc1N1CCCCC1CO
InChIInChI=1S/C10H13ClN4O3/c11-9-8(15(17)18)10(13-6-12-9)14-4-2-1-3-7(14)5-16/h6-7,16H,1-5H2
InChIKeyIYGXLQZHNKWSID-UHFFFAOYSA-N
XLogP1.39
TPSA92.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(6-chloro-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol?
The IUPAC name of [1-(6-chloro-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol (CID 15993919) is [1-(6-chloro-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(6-chloro-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(6-chloro-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol is O=[N+]([O-])c1c(Cl)ncnc1N1CCCCC1CO.
What is the InChIKey of [1-(6-chloro-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol?
The InChIKey is IYGXLQZHNKWSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O3/c11-9-8(15(17)18)10(13-6-12-9)14-4-2-1-3-7(14)5-16/h6-7,16H,1-5H2.
What are the key properties of [1-(6-chloro-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol?
[1-(6-chloro-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol has a molecular weight of 272.69 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloro-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol is sourced from PubChem (CID 15993919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).