4-chloro-5-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-2-methylpyridine

C15H14ClFN2O3 — CID 126720261

IUPAC4-chloro-5-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-2-methylpyridine
SMILESCc1cc(Cl)c(C(C)(C)Oc2ccc([N+](=O)[O-])cc2F)cn1
InChIInChI=1S/C15H14ClFN2O3/c1-9-6-12(16)11(8-18-9)15(2,3)22-14-5-4-10(19(20)21)7-13(14)17/h4-8H,1-3H3
InChIKeyQNAAZMAHLRVZPD-UHFFFAOYSA-N
MW324.74 g/mol
LogP4.40
Rot. Bonds4

About 4-chloro-5-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-2-methylpyridine

4-chloro-5-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-2-methylpyridine (PubChem CID 126720261) has the molecular formula C15H14ClFN2O3 and a molecular weight of 324.74 g/mol. Its IUPAC name is 4-chloro-5-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-2-methylpyridine.

Molecular Properties

Compound Name4-chloro-5-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-2-methylpyridine
PubChem CID126720261
Molecular FormulaC15H14ClFN2O3
Molecular Weight324.74 g/mol
Exact Mass324.07
IUPAC Name4-chloro-5-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-2-methylpyridine
SMILESCc1cc(Cl)c(C(C)(C)Oc2ccc([N+](=O)[O-])cc2F)cn1
InChIInChI=1S/C15H14ClFN2O3/c1-9-6-12(16)11(8-18-9)15(2,3)22-14-5-4-10(19(20)21)7-13(14)17/h4-8H,1-3H3
InChIKeyQNAAZMAHLRVZPD-UHFFFAOYSA-N
XLogP4.40
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methoxypyridine
CID 126720284
4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine
CID 143321178
1-(chloromethoxy)-2-fluoro-4-nitrobenzene
CID 79530789
2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene
CID 154939680
2,4-dichloro-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridine
CID 116519429
N-ethyl-5-fluoro-4-(2-fluoro-4-nitrophenoxy)pyrimidin-2-amine
CID 80878989
N-ethyl-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine
CID 62195386
5-chloro-4-(2-fluoro-4-nitrophenoxy)pyrrolo[2,1-f][1,2,4]triazine
CID 21081699
4-chloro-6-(2-fluoro-4-nitrophenoxy)-2,5-dimethylpyrimidine
CID 63734189
2-(2-fluoro-4-nitrophenoxy)acetonitrile
CID 60772665

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-2-methylpyridine?
The IUPAC name of 4-chloro-5-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-2-methylpyridine (CID 126720261) is 4-chloro-5-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-2-methylpyridine.
What is the SMILES notation for 4-chloro-5-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-2-methylpyridine?
The canonical SMILES for 4-chloro-5-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-2-methylpyridine is Cc1cc(Cl)c(C(C)(C)Oc2ccc([N+](=O)[O-])cc2F)cn1.
What is the InChIKey of 4-chloro-5-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-2-methylpyridine?
The InChIKey is QNAAZMAHLRVZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3/c1-9-6-12(16)11(8-18-9)15(2,3)22-14-5-4-10(19(20)21)7-13(14)17/h4-8H,1-3H3.
What are the key properties of 4-chloro-5-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-2-methylpyridine?
4-chloro-5-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-2-methylpyridine has a molecular weight of 324.74 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-2-methylpyridine is sourced from PubChem (CID 126720261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).