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

C10H10F3N3O3 — CID 106750084

IUPAC[1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]methanol
SMILESO=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC(CO)C1
InChIInChI=1S/C10H10F3N3O3/c11-10(12,13)9-1-7(8(2-14-9)16(18)19)15-3-6(4-15)5-17/h1-2,6,17H,3-5H2
InChIKeyPNNOJNWSUAWNMQ-UHFFFAOYSA-N
MW277.20 g/mol
LogP1.44
Rot. Bonds3

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

[1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]methanol (PubChem CID 106750084) has the molecular formula C10H10F3N3O3 and a molecular weight of 277.20 g/mol. Its IUPAC name is [1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]methanol
PubChem CID106750084
Molecular FormulaC10H10F3N3O3
Molecular Weight277.20 g/mol
Exact Mass277.07
IUPAC Name[1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]methanol
SMILESO=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC(CO)C1
InChIInChI=1S/C10H10F3N3O3/c11-10(12,13)9-1-7(8(2-14-9)16(18)19)15-3-6(4-15)5-17/h1-2,6,17H,3-5H2
InChIKeyPNNOJNWSUAWNMQ-UHFFFAOYSA-N
XLogP1.44
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 51.44
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-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methanamine
CID 106749784
1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]piperidin-3-ol
CID 106750060
3-ethyl-1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]azetidin-3-ol
CID 106750079
1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]piperidine-3-carbaldehyde
CID 106750152
1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
CID 106748603
[1-(4-bromo-5-fluoro-2-nitrophenyl)azetidin-3-yl]methanol
CID 66111877
[1-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol
CID 83271569
1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxylic acid
CID 106750108
4-(2-ethylimidazol-1-yl)-5-nitro-2-(trifluoromethyl)pyridine
CID 106750160
[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methanol
CID 106747257
4-methyl-5-nitro-2-(trifluoromethyl)pyridine
CID 53414275
[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol
CID 169180430

Frequently Asked Questions

What is the IUPAC name of [1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]methanol?
The IUPAC name of [1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]methanol (CID 106750084) is [1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]methanol.
What is the SMILES notation for [1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]methanol?
The canonical SMILES for [1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]methanol is O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC(CO)C1.
What is the InChIKey of [1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]methanol?
The InChIKey is PNNOJNWSUAWNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O3/c11-10(12,13)9-1-7(8(2-14-9)16(18)19)15-3-6(4-15)5-17/h1-2,6,17H,3-5H2.
What are the key properties of [1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]methanol?
[1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]methanol has a molecular weight of 277.20 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]methanol is sourced from PubChem (CID 106750084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).