3,6-dichloro-2-[(4-nitrophenoxy)methyl]pyridine

C12H8Cl2N2O3 — CID 62887008

IUPAC3,6-dichloro-2-[(4-nitrophenoxy)methyl]pyridine
SMILESO=[N+]([O-])c1ccc(OCc2nc(Cl)ccc2Cl)cc1
InChIInChI=1S/C12H8Cl2N2O3/c13-10-5-6-12(14)15-11(10)7-19-9-3-1-8(2-4-9)16(17)18/h1-6H,7H2
InChIKeyAQKSDKGSGINYSA-UHFFFAOYSA-N
MW299.11 g/mol
LogP3.88
Rot. Bonds4

About 3,6-dichloro-2-[(4-nitrophenoxy)methyl]pyridine

3,6-dichloro-2-[(4-nitrophenoxy)methyl]pyridine (PubChem CID 62887008) has the molecular formula C12H8Cl2N2O3 and a molecular weight of 299.11 g/mol. Its IUPAC name is 3,6-dichloro-2-[(4-nitrophenoxy)methyl]pyridine.

Molecular Properties

Compound Name3,6-dichloro-2-[(4-nitrophenoxy)methyl]pyridine
PubChem CID62887008
Molecular FormulaC12H8Cl2N2O3
Molecular Weight299.11 g/mol
Exact Mass297.99
IUPAC Name3,6-dichloro-2-[(4-nitrophenoxy)methyl]pyridine
SMILESO=[N+]([O-])c1ccc(OCc2nc(Cl)ccc2Cl)cc1
InChIInChI=1S/C12H8Cl2N2O3/c13-10-5-6-12(14)15-11(10)7-19-9-3-1-8(2-4-9)16(17)18/h1-6H,7H2
InChIKeyAQKSDKGSGINYSA-UHFFFAOYSA-N
XLogP3.88
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,6-dichloro-2-[(4-nitrophenoxy)methyl]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

3,6-dichloro-2-[(2-methyl-5-nitrophenoxy)methyl]pyridine
CID 62886670
4-[(3,6-dichloro-2-pyridinyl)methoxy]benzamide
CID 55127310
2-chloro-6-[[4-(4-nitrophenoxy)phenoxy]methyl]pyridine
CID 154663357
2-[4-[(3,6-dichloro-2-pyridinyl)methoxy]phenyl]ethanol
CID 104743978
methyl 4-[(3,6-dichloro-2-pyridinyl)methoxy]benzoate
CID 59756933
1-(iodomethoxy)-4-nitrobenzene
CID 70647757
5-[(4-nitrophenoxy)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole
CID 53264632
4-[(2-chloro-5-nitrophenyl)methoxy]benzonitrile
CID 43169197
2-methyl-5-[(4-nitrophenoxy)methyl]pyrazine
CID 162519984
6-chloro-2-[(4-nitrophenoxy)methyl]imidazo[1,2-a]pyridine
CID 4806396
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
5-chloro-6-[(4-iodophenoxy)methyl]pyridin-2-amine
CID 55127794

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-[(4-nitrophenoxy)methyl]pyridine?
The IUPAC name of 3,6-dichloro-2-[(4-nitrophenoxy)methyl]pyridine (CID 62887008) is 3,6-dichloro-2-[(4-nitrophenoxy)methyl]pyridine.
What is the SMILES notation for 3,6-dichloro-2-[(4-nitrophenoxy)methyl]pyridine?
The canonical SMILES for 3,6-dichloro-2-[(4-nitrophenoxy)methyl]pyridine is O=[N+]([O-])c1ccc(OCc2nc(Cl)ccc2Cl)cc1.
What is the InChIKey of 3,6-dichloro-2-[(4-nitrophenoxy)methyl]pyridine?
The InChIKey is AQKSDKGSGINYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3/c13-10-5-6-12(14)15-11(10)7-19-9-3-1-8(2-4-9)16(17)18/h1-6H,7H2.
What are the key properties of 3,6-dichloro-2-[(4-nitrophenoxy)methyl]pyridine?
3,6-dichloro-2-[(4-nitrophenoxy)methyl]pyridine has a molecular weight of 299.11 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-[(4-nitrophenoxy)methyl]pyridine is sourced from PubChem (CID 62887008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).