2-nitro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine

C14H11F3N2O4 — CID 60526552

IUPAC2-nitro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine
SMILESO=[N+]([O-])c1ncccc1OCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C14H11F3N2O4/c15-14(16,17)9-23-11-5-3-10(4-6-11)8-22-12-2-1-7-18-13(12)19(20)21/h1-7H,8-9H2
InChIKeyYPUDRBLCAPXCMG-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.51
Rot. Bonds6

About 2-nitro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine

2-nitro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine (PubChem CID 60526552) has the molecular formula C14H11F3N2O4 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-nitro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine.

Molecular Properties

Compound Name2-nitro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine
PubChem CID60526552
Molecular FormulaC14H11F3N2O4
Molecular Weight328.25 g/mol
Exact Mass328.07
IUPAC Name2-nitro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine
SMILESO=[N+]([O-])c1ncccc1OCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C14H11F3N2O4/c15-14(16,17)9-23-11-5-3-10(4-6-11)8-22-12-2-1-7-18-13(12)19(20)21/h1-7H,8-9H2
InChIKeyYPUDRBLCAPXCMG-UHFFFAOYSA-N
XLogP3.51
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.51
H-Bond Donors ≤ 50
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'}

Analyze 2-nitro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-nitro-3-pyridinyl)oxymethyl]benzamide
CID 27351276
4-[(2-nitro-3-pyridinyl)oxymethyl]-N-phenylbenzamide
CID 40662450
N-methyl-4-[(2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine
CID 62464959
3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine
CID 107348669
5-[(2-nitro-3-pyridinyl)oxymethyl]-N-propylpyridin-2-amine
CID 62195013
3-methoxy-2-nitropyridine
CID 556063
2-(4-methoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 8648428
1-nitro-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 18551352
4-fluoro-3-[(2-nitro-3-pyridinyl)oxymethyl]benzoic acid
CID 107451989
2-chloro-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 79764993
3-(cyclopropylmethoxy)-2-nitropyridine
CID 90078181
3-decoxy-2-nitropyridine
CID 152620226

Frequently Asked Questions

What is the IUPAC name of 2-nitro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine?
The IUPAC name of 2-nitro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine (CID 60526552) is 2-nitro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine.
What is the SMILES notation for 2-nitro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine?
The canonical SMILES for 2-nitro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine is O=[N+]([O-])c1ncccc1OCc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2-nitro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine?
The InChIKey is YPUDRBLCAPXCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O4/c15-14(16,17)9-23-11-5-3-10(4-6-11)8-22-12-2-1-7-18-13(12)19(20)21/h1-7H,8-9H2.
What are the key properties of 2-nitro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine?
2-nitro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine has a molecular weight of 328.25 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine is sourced from PubChem (CID 60526552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).