5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine

C13H11ClN2O3 — CID 80627929

IUPAC5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine
SMILESCc1cc(CCl)cnc1Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H11ClN2O3/c1-9-5-10(7-14)8-15-13(9)19-12-4-2-3-11(6-12)16(17)18/h2-6,8H,7H2,1H3
InChIKeyGWCXYHYCRHIMAC-UHFFFAOYSA-N
MW278.69 g/mol
LogP3.83
Rot. Bonds4

About 5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine

5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine (PubChem CID 80627929) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.69 g/mol. Its IUPAC name is 5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine.

Molecular Properties

Compound Name5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine
PubChem CID80627929
Molecular FormulaC13H11ClN2O3
Molecular Weight278.69 g/mol
Exact Mass278.05
IUPAC Name5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine
SMILESCc1cc(CCl)cnc1Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H11ClN2O3/c1-9-5-10(7-14)8-15-13(9)19-12-4-2-3-11(6-12)16(17)18/h2-6,8H,7H2,1H3
InChIKeyGWCXYHYCRHIMAC-UHFFFAOYSA-N
XLogP3.83
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 53.83
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-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol
CID 80629220
4-(chloromethyl)-2-methyl-1-(3-nitrophenoxy)benzene
CID 63567497
2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine
CID 79076239
1-(chloromethyl)-2-methyl-4-(3-nitrophenoxy)benzene
CID 62129985
N-methyl-1-[3-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanamine
CID 106486385
3-bromo-4-methyl-2-(3-nitrophenoxy)pyridine
CID 106877947
5-(chloromethyl)-2-(2,5-difluoro-4-nitrophenoxy)-3-methylpyridine
CID 80631960
5-(chloromethyl)-3-methyl-2-(2-methylphenoxy)pyridine
CID 80628878
[6-(2-chloro-5-nitrophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80628217
4-[[5-(chloromethyl)-3-methyl-2-pyridinyl]oxy]-3-nitrobenzonitrile
CID 80631592
2-methyl-5-(3-nitrophenoxy)pyridine
CID 59712225
3-bromo-5-chloro-2-(3-nitrophenoxy)pyridine
CID 114837695

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine?
The IUPAC name of 5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine (CID 80627929) is 5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine.
What is the SMILES notation for 5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine?
The canonical SMILES for 5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine is Cc1cc(CCl)cnc1Oc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine?
The InChIKey is GWCXYHYCRHIMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-9-5-10(7-14)8-15-13(9)19-12-4-2-3-11(6-12)16(17)18/h2-6,8H,7H2,1H3.
What are the key properties of 5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine?
5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine has a molecular weight of 278.69 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine is sourced from PubChem (CID 80627929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).