2-(chloromethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine

C14H12ClFN2O3 — CID 107349922

IUPAC2-(chloromethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine
SMILESCc1ccc(OCc2cccc([N+](=O)[O-])c2F)c(CCl)n1
InChIInChI=1S/C14H12ClFN2O3/c1-9-5-6-13(11(7-15)17-9)21-8-10-3-2-4-12(14(10)16)18(19)20/h2-6H,7-8H2,1H3
InChIKeyRAHGOFFGEYHKQJ-UHFFFAOYSA-N
MW310.71 g/mol
LogP3.76
Rot. Bonds5

About 2-(chloromethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine

2-(chloromethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine (PubChem CID 107349922) has the molecular formula C14H12ClFN2O3 and a molecular weight of 310.71 g/mol. Its IUPAC name is 2-(chloromethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine
PubChem CID107349922
Molecular FormulaC14H12ClFN2O3
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC Name2-(chloromethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine
SMILESCc1ccc(OCc2cccc([N+](=O)[O-])c2F)c(CCl)n1
InChIInChI=1S/C14H12ClFN2O3/c1-9-5-6-13(11(7-15)17-9)21-8-10-3-2-4-12(14(10)16)18(19)20/h2-6H,7-8H2,1H3
InChIKeyRAHGOFFGEYHKQJ-UHFFFAOYSA-N
XLogP3.76
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 53.76
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

2-(bromomethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine
CID 107349923
1-[(4-chloro-2-methylphenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348630
2-fluoro-1-[(4-fluoro-2-methylphenoxy)methyl]-3-nitrobenzene
CID 107348758
2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine
CID 79169537
2-fluoro-1-[(2-methylsulfanylphenoxy)methyl]-3-nitrobenzene
CID 107348729
[2-[(2-fluoro-3-nitrophenyl)methoxy]-5-methylphenyl]methanol
CID 107349865
1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348727
2-[(2-fluoro-3-nitrophenyl)methoxy]phenol
CID 107349940
3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine
CID 107348669
[3-[(2-chloro-6-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79156359
2-fluoro-1-[(4-methylsulfanylphenoxy)methyl]-3-nitrobenzene
CID 107348730
2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene
CID 107348619

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine?
The IUPAC name of 2-(chloromethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine (CID 107349922) is 2-(chloromethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine.
What is the SMILES notation for 2-(chloromethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine?
The canonical SMILES for 2-(chloromethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine is Cc1ccc(OCc2cccc([N+](=O)[O-])c2F)c(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine?
The InChIKey is RAHGOFFGEYHKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O3/c1-9-5-6-13(11(7-15)17-9)21-8-10-3-2-4-12(14(10)16)18(19)20/h2-6H,7-8H2,1H3.
What are the key properties of 2-(chloromethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine?
2-(chloromethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine has a molecular weight of 310.71 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine is sourced from PubChem (CID 107349922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).