3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methoxypyridine

C15H14ClFN2O4 — CID 126720284

IUPAC3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methoxypyridine
SMILESCOc1ccc(Cl)c(C(C)(C)Oc2ccc([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C15H14ClFN2O4/c1-15(2,14-10(16)5-7-13(18-14)22-3)23-12-6-4-9(19(20)21)8-11(12)17/h4-8H,1-3H3
InChIKeyVQXWAEQMRFRICE-UHFFFAOYSA-N
MW340.74 g/mol
LogP4.11
Rot. Bonds5

About 3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methoxypyridine

3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methoxypyridine (PubChem CID 126720284) has the molecular formula C15H14ClFN2O4 and a molecular weight of 340.74 g/mol. Its IUPAC name is 3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methoxypyridine.

Molecular Properties

Compound Name3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methoxypyridine
PubChem CID126720284
Molecular FormulaC15H14ClFN2O4
Molecular Weight340.74 g/mol
Exact Mass340.06
IUPAC Name3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methoxypyridine
SMILESCOc1ccc(Cl)c(C(C)(C)Oc2ccc([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C15H14ClFN2O4/c1-15(2,14-10(16)5-7-13(18-14)22-3)23-12-6-4-9(19(20)21)8-11(12)17/h4-8H,1-3H3
InChIKeyVQXWAEQMRFRICE-UHFFFAOYSA-N
XLogP4.11
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.74
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methylpyridine
CID 126720280
3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]pyridine
CID 126720266
4-chloro-5-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-2-methylpyridine
CID 126720261
4-(2-fluoro-4-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80870869
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
4-chloro-6-(2-fluoro-4-nitrophenoxy)-2,5-dimethylpyrimidine
CID 63734189
methyl 4-chloro-2-(2-fluoro-4-nitrophenoxy)-1,3-thiazole-5-carboxylate
CID 61058240
3-chloro-4-(2-fluoro-4-nitrophenoxy)-1,2,5-thiadiazole
CID 54915723
2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene
CID 154939680
3,4-dichloro-N-[(2-methoxy-5-nitrophenyl)methyl]aniline
CID 43212554
1-(chloromethoxy)-2-fluoro-4-nitrobenzene
CID 79530789
1-chloro-4-nitro-2-(trifluoromethoxy)benzene
CID 71669332

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methoxypyridine?
The IUPAC name of 3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methoxypyridine (CID 126720284) is 3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methoxypyridine.
What is the SMILES notation for 3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methoxypyridine?
The canonical SMILES for 3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methoxypyridine is COc1ccc(Cl)c(C(C)(C)Oc2ccc([N+](=O)[O-])cc2F)n1.
What is the InChIKey of 3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methoxypyridine?
The InChIKey is VQXWAEQMRFRICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O4/c1-15(2,14-10(16)5-7-13(18-14)22-3)23-12-6-4-9(19(20)21)8-11(12)17/h4-8H,1-3H3.
What are the key properties of 3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methoxypyridine?
3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methoxypyridine has a molecular weight of 340.74 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methoxypyridine is sourced from PubChem (CID 126720284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).