5-(bromomethyl)-2-(4,5-dichloro-2-nitrophenoxy)pyridine

C12H7BrCl2N2O3 — CID 107500369

IUPAC5-(bromomethyl)-2-(4,5-dichloro-2-nitrophenoxy)pyridine
SMILESO=[N+]([O-])c1cc(Cl)c(Cl)cc1Oc1ccc(CBr)cn1
InChIInChI=1S/C12H7BrCl2N2O3/c13-5-7-1-2-12(16-6-7)20-11-4-9(15)8(14)3-10(11)17(18)19/h1-4,6H,5H2
InChIKeyDBWLDHPRUBQFCF-UHFFFAOYSA-N
MW378.01 g/mol
LogP4.98
Rot. Bonds4

About 5-(bromomethyl)-2-(4,5-dichloro-2-nitrophenoxy)pyridine

5-(bromomethyl)-2-(4,5-dichloro-2-nitrophenoxy)pyridine (PubChem CID 107500369) has the molecular formula C12H7BrCl2N2O3 and a molecular weight of 378.01 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(4,5-dichloro-2-nitrophenoxy)pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(4,5-dichloro-2-nitrophenoxy)pyridine
PubChem CID107500369
Molecular FormulaC12H7BrCl2N2O3
Molecular Weight378.01 g/mol
Exact Mass375.90
IUPAC Name5-(bromomethyl)-2-(4,5-dichloro-2-nitrophenoxy)pyridine
SMILESO=[N+]([O-])c1cc(Cl)c(Cl)cc1Oc1ccc(CBr)cn1
InChIInChI=1S/C12H7BrCl2N2O3/c13-5-7-1-2-12(16-6-7)20-11-4-9(15)8(14)3-10(11)17(18)19/h1-4,6H,5H2
InChIKeyDBWLDHPRUBQFCF-UHFFFAOYSA-N
XLogP4.98
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.01
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(bromomethyl)-2-(4,5-dichloro-2-nitrophenoxy)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

1-[4-(bromomethyl)-2-chlorophenoxy]-4,5-dichloro-2-nitrobenzene
CID 107500407
1-[4-(bromomethyl)-2-fluorophenoxy]-4,5-dichloro-2-nitrobenzene
CID 107500397
[6-(5-chloro-2-nitrophenoxy)-3-pyridinyl]methanamine
CID 80633680
1-[2-(bromomethyl)-3-chlorophenoxy]-4,5-dichloro-2-nitrobenzene
CID 107500351
5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine
CID 107087885
5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine
CID 107086310
1-[5-bromo-2-(bromomethyl)phenoxy]-4,5-dichloro-2-nitrobenzene
CID 107500355
[6-(3-chloro-4-nitrophenoxy)-3-pyridinyl]methanamine
CID 80633382
5-(bromomethyl)-2-(3-chloro-2-fluorophenoxy)pyridine
CID 107089215
5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)-3-methylpyridine
CID 107086305
1-[6-(2-chloro-5-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 80633241
1-[6-(5-fluoro-2-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 80633902

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(4,5-dichloro-2-nitrophenoxy)pyridine?
The IUPAC name of 5-(bromomethyl)-2-(4,5-dichloro-2-nitrophenoxy)pyridine (CID 107500369) is 5-(bromomethyl)-2-(4,5-dichloro-2-nitrophenoxy)pyridine.
What is the SMILES notation for 5-(bromomethyl)-2-(4,5-dichloro-2-nitrophenoxy)pyridine?
The canonical SMILES for 5-(bromomethyl)-2-(4,5-dichloro-2-nitrophenoxy)pyridine is O=[N+]([O-])c1cc(Cl)c(Cl)cc1Oc1ccc(CBr)cn1.
What is the InChIKey of 5-(bromomethyl)-2-(4,5-dichloro-2-nitrophenoxy)pyridine?
The InChIKey is DBWLDHPRUBQFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2N2O3/c13-5-7-1-2-12(16-6-7)20-11-4-9(15)8(14)3-10(11)17(18)19/h1-4,6H,5H2.
What are the key properties of 5-(bromomethyl)-2-(4,5-dichloro-2-nitrophenoxy)pyridine?
5-(bromomethyl)-2-(4,5-dichloro-2-nitrophenoxy)pyridine has a molecular weight of 378.01 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(4,5-dichloro-2-nitrophenoxy)pyridine is sourced from PubChem (CID 107500369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).