[1-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol

C10H13N3O3 — CID 83271569

IUPAC[1-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol
SMILESCc1cnc(N2CC(CO)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-7-3-11-10(2-9(7)13(15)16)12-4-8(5-12)6-14/h2-3,8,14H,4-6H2,1H3
InChIKeyOOPSSNYEGOUVKQ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.73
Rot. Bonds3

About [1-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol

[1-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol (PubChem CID 83271569) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is [1-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol
PubChem CID83271569
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name[1-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol
SMILESCc1cnc(N2CC(CO)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-7-3-11-10(2-9(7)13(15)16)12-4-8(5-12)6-14/h2-3,8,14H,4-6H2,1H3
InChIKeyOOPSSNYEGOUVKQ-UHFFFAOYSA-N
XLogP0.73
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.73
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-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol?
The IUPAC name of [1-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol (CID 83271569) is [1-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol.
What is the SMILES notation for [1-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol?
The canonical SMILES for [1-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol is Cc1cnc(N2CC(CO)C2)cc1[N+](=O)[O-].
What is the InChIKey of [1-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol?
The InChIKey is OOPSSNYEGOUVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-7-3-11-10(2-9(7)13(15)16)12-4-8(5-12)6-14/h2-3,8,14H,4-6H2,1H3.
What are the key properties of [1-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol?
[1-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol has a molecular weight of 223.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol is sourced from PubChem (CID 83271569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).