3-nitro-4-[(2R)-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-6-yl]pyridine

C30H26N2O4 — CID 173004810

IUPAC3-nitro-4-[(2R)-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-6-yl]pyridine
SMILESO=[N+]([O-])c1cnccc1C1=CCC[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C30H26N2O4/c33-32(34)28-21-31-20-19-27(28)29-18-10-17-26(36-29)22-35-30(23-11-4-1-5-12-23,24-13-6-2-7-14-24)25-15-8-3-9-16-25/h1-9,11-16,18-21,26H,10,17,22H2/t26-/m1/s1
InChIKeyAJULAIWWSYBHGZ-AREMUKBSSA-N
MW478.55 g/mol
LogP6.52
Rot. Bonds8

About 3-nitro-4-[(2R)-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-6-yl]pyridine

3-nitro-4-[(2R)-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-6-yl]pyridine (PubChem CID 173004810) has the molecular formula C30H26N2O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 3-nitro-4-[(2R)-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-6-yl]pyridine.

Molecular Properties

Compound Name3-nitro-4-[(2R)-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-6-yl]pyridine
PubChem CID173004810
Molecular FormulaC30H26N2O4
Molecular Weight478.55 g/mol
Exact Mass478.19
IUPAC Name3-nitro-4-[(2R)-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-6-yl]pyridine
SMILESO=[N+]([O-])c1cnccc1C1=CCC[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C30H26N2O4/c33-32(34)28-21-31-20-19-27(28)29-18-10-17-26(36-29)22-35-30(23-11-4-1-5-12-23,24-13-6-2-7-14-24)25-15-8-3-9-16-25/h1-9,11-16,18-21,26H,10,17,22H2/t26-/m1/s1
InChIKeyAJULAIWWSYBHGZ-AREMUKBSSA-N
XLogP6.52
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 56.52
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 3-nitro-4-[(2R)-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-6-yl]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

[(2R,3R,4R)-2-(methoxymethyl)-6-(3-nitro-4-pyridinyl)-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane
CID 66652398
4-(trityloxymethyl)trioxolane
CID 19758940
3-methyl-4-(2-nitrophenyl)pyridine
CID 603571
[6-(3-nitro-4-pyridinyl)-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 77158723
(3-nitro-4-pyridinyl) 2-phenylethanesulfonate
CID 51063154
(3R,5S)-3-trimethylsilyloxy-5-(trityloxymethyl)oxolan-2-one
CID 11155064
3-nitro-4-[(2S,4S)-4-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]pyridine
CID 66655554
2-ethenyl-6-(3-nitro-4-pyridinyl)-3,4-dihydro-2H-pyran-3,4-diol
CID 77158777
N,N-dibenzyl-3-nitropyridin-4-amine
CID 69170535
hydroxy-[1-[(1R,2R,6S)-2-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-methyl-4-(3-nitro-4-pyridinyl)cyclohex-3-en-1-yl]-2-methylpropan-2-yl]-dimethylsilane
CID 90075778
4-(4-methylphenyl)-3-nitropyridine
CID 59113375
(1S)-3-(3-nitro-4-pyridinyl)cyclohex-2-en-1-ol
CID 124565316

Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-[(2R)-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-6-yl]pyridine?
The IUPAC name of 3-nitro-4-[(2R)-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-6-yl]pyridine (CID 173004810) is 3-nitro-4-[(2R)-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-6-yl]pyridine.
What is the SMILES notation for 3-nitro-4-[(2R)-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-6-yl]pyridine?
The canonical SMILES for 3-nitro-4-[(2R)-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-6-yl]pyridine is O=[N+]([O-])c1cnccc1C1=CCC[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of 3-nitro-4-[(2R)-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-6-yl]pyridine?
The InChIKey is AJULAIWWSYBHGZ-AREMUKBSSA-N. The full InChI is InChI=1S/C30H26N2O4/c33-32(34)28-21-31-20-19-27(28)29-18-10-17-26(36-29)22-35-30(23-11-4-1-5-12-23,24-13-6-2-7-14-24)25-15-8-3-9-16-25/h1-9,11-16,18-21,26H,10,17,22H2/t26-/m1/s1.
What are the key properties of 3-nitro-4-[(2R)-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-6-yl]pyridine?
3-nitro-4-[(2R)-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-6-yl]pyridine has a molecular weight of 478.55 g/mol, XLogP of 6.52, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-[(2R)-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-6-yl]pyridine is sourced from PubChem (CID 173004810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).