3-methoxy-2-nitro-6-(2,3,4,5,6-pentafluorophenyl)pyridine

C12H5F5N2O3 — CID 133087472

IUPAC3-methoxy-2-nitro-6-(2,3,4,5,6-pentafluorophenyl)pyridine
SMILESCOc1ccc(-c2c(F)c(F)c(F)c(F)c2F)nc1[N+](=O)[O-]
InChIInChI=1S/C12H5F5N2O3/c1-22-5-3-2-4(18-12(5)19(20)21)6-7(13)9(15)11(17)10(16)8(6)14/h2-3H,1H3
InChIKeyVPDUGQRPNQOVNM-UHFFFAOYSA-N
MW320.17 g/mol
LogP3.36
Rot. Bonds3

About 3-methoxy-2-nitro-6-(2,3,4,5,6-pentafluorophenyl)pyridine

3-methoxy-2-nitro-6-(2,3,4,5,6-pentafluorophenyl)pyridine (PubChem CID 133087472) has the molecular formula C12H5F5N2O3 and a molecular weight of 320.17 g/mol. Its IUPAC name is 3-methoxy-2-nitro-6-(2,3,4,5,6-pentafluorophenyl)pyridine.

Molecular Properties

Compound Name3-methoxy-2-nitro-6-(2,3,4,5,6-pentafluorophenyl)pyridine
PubChem CID133087472
Molecular FormulaC12H5F5N2O3
Molecular Weight320.17 g/mol
Exact Mass320.02
IUPAC Name3-methoxy-2-nitro-6-(2,3,4,5,6-pentafluorophenyl)pyridine
SMILESCOc1ccc(-c2c(F)c(F)c(F)c(F)c2F)nc1[N+](=O)[O-]
InChIInChI=1S/C12H5F5N2O3/c1-22-5-3-2-4(18-12(5)19(20)21)6-7(13)9(15)11(17)10(16)8(6)14/h2-3H,1H3
InChIKeyVPDUGQRPNQOVNM-UHFFFAOYSA-N
XLogP3.36
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-methoxy-2-nitro-6-(2,3,4,5,6-pentafluorophenyl)pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-nitro-6-(2,3,4,5,6-pentafluorophenyl)pyridine?
The IUPAC name of 3-methoxy-2-nitro-6-(2,3,4,5,6-pentafluorophenyl)pyridine (CID 133087472) is 3-methoxy-2-nitro-6-(2,3,4,5,6-pentafluorophenyl)pyridine.
What is the SMILES notation for 3-methoxy-2-nitro-6-(2,3,4,5,6-pentafluorophenyl)pyridine?
The canonical SMILES for 3-methoxy-2-nitro-6-(2,3,4,5,6-pentafluorophenyl)pyridine is COc1ccc(-c2c(F)c(F)c(F)c(F)c2F)nc1[N+](=O)[O-].
What is the InChIKey of 3-methoxy-2-nitro-6-(2,3,4,5,6-pentafluorophenyl)pyridine?
The InChIKey is VPDUGQRPNQOVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F5N2O3/c1-22-5-3-2-4(18-12(5)19(20)21)6-7(13)9(15)11(17)10(16)8(6)14/h2-3H,1H3.
What are the key properties of 3-methoxy-2-nitro-6-(2,3,4,5,6-pentafluorophenyl)pyridine?
3-methoxy-2-nitro-6-(2,3,4,5,6-pentafluorophenyl)pyridine has a molecular weight of 320.17 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-nitro-6-(2,3,4,5,6-pentafluorophenyl)pyridine is sourced from PubChem (CID 133087472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).