5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)-3-methylpyridine

C13H10BrClN2O3 — CID 107086305

IUPAC5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)-3-methylpyridine
SMILESCc1cc(CBr)cnc1Oc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H10BrClN2O3/c1-8-4-9(6-14)7-16-13(8)20-12-3-2-10(15)5-11(12)17(18)19/h2-5,7H,6H2,1H3
InChIKeyJBRLKZDQLAADTB-UHFFFAOYSA-N
MW357.59 g/mol
LogP4.64
Rot. Bonds4

About 5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)-3-methylpyridine

5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)-3-methylpyridine (PubChem CID 107086305) has the molecular formula C13H10BrClN2O3 and a molecular weight of 357.59 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)-3-methylpyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)-3-methylpyridine
PubChem CID107086305
Molecular FormulaC13H10BrClN2O3
Molecular Weight357.59 g/mol
Exact Mass355.96
IUPAC Name5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)-3-methylpyridine
SMILESCc1cc(CBr)cnc1Oc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H10BrClN2O3/c1-8-4-9(6-14)7-16-13(8)20-12-3-2-10(15)5-11(12)17(18)19/h2-5,7H,6H2,1H3
InChIKeyJBRLKZDQLAADTB-UHFFFAOYSA-N
XLogP4.64
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.59
LogP ≤ 54.64
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'}

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Related Compounds

5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine
CID 107086310
5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine
CID 107089424
[6-(4-fluoro-2-nitrophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80633985
5-(chloromethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine
CID 113387972
4-[[5-(chloromethyl)-3-methyl-2-pyridinyl]oxy]-3-nitrobenzonitrile
CID 80631592
[4-(4-chloro-2-nitrophenoxy)-3-methylphenyl]methanol
CID 62122577
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-(chloromethyl)-3-methylpyridine
CID 103483413
5-(chloromethyl)-2-(2,5-difluoro-4-nitrophenoxy)-3-methylpyridine
CID 80631960
[6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol
CID 103201814
5-(bromomethyl)-3-methyl-2-(2-methylphenoxy)pyridine
CID 107087048
4-(bromomethyl)-1-[(4-chlorophenyl)methoxy]-2-nitrobenzene
CID 43141653

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)-3-methylpyridine?
The IUPAC name of 5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)-3-methylpyridine (CID 107086305) is 5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)-3-methylpyridine.
What is the SMILES notation for 5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)-3-methylpyridine?
The canonical SMILES for 5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)-3-methylpyridine is Cc1cc(CBr)cnc1Oc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)-3-methylpyridine?
The InChIKey is JBRLKZDQLAADTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O3/c1-8-4-9(6-14)7-16-13(8)20-12-3-2-10(15)5-11(12)17(18)19/h2-5,7H,6H2,1H3.
What are the key properties of 5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)-3-methylpyridine?
5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)-3-methylpyridine has a molecular weight of 357.59 g/mol, XLogP of 4.64, 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-chloro-2-nitrophenoxy)-3-methylpyridine is sourced from PubChem (CID 107086305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).