3,5-dichloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methylpyridine

C15H13Cl2FN2O3 — CID 126720280

IUPAC3,5-dichloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methylpyridine
SMILESCc1nc(C(C)(C)Oc2ccc([N+](=O)[O-])cc2F)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2FN2O3/c1-8-10(16)7-11(17)14(19-8)15(2,3)23-13-5-4-9(20(21)22)6-12(13)18/h4-7H,1-3H3
InChIKeyYCAGJLQTRUGGNC-UHFFFAOYSA-N
MW359.18 g/mol
LogP5.06
Rot. Bonds4

About 3,5-dichloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methylpyridine

3,5-dichloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methylpyridine (PubChem CID 126720280) has the molecular formula C15H13Cl2FN2O3 and a molecular weight of 359.18 g/mol. Its IUPAC name is 3,5-dichloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methylpyridine.

Molecular Properties

Compound Name3,5-dichloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methylpyridine
PubChem CID126720280
Molecular FormulaC15H13Cl2FN2O3
Molecular Weight359.18 g/mol
Exact Mass358.03
IUPAC Name3,5-dichloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methylpyridine
SMILESCc1nc(C(C)(C)Oc2ccc([N+](=O)[O-])cc2F)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2FN2O3/c1-8-10(16)7-11(17)14(19-8)15(2,3)23-13-5-4-9(20(21)22)6-12(13)18/h4-7H,1-3H3
InChIKeyYCAGJLQTRUGGNC-UHFFFAOYSA-N
XLogP5.06
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.18
LogP ≤ 55.06
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-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methoxypyridine
CID 126720284
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-chloro-6-(2-fluoro-4-nitrophenoxy)-2,5-dimethylpyrimidine
CID 63734189
2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene
CID 154939680
3-chloro-4-(2-fluoro-4-nitrophenoxy)-1,2,5-thiadiazole
CID 54915723
1-(chloromethoxy)-2-fluoro-4-nitrobenzene
CID 79530789
5-(2-fluoro-4-nitrophenoxy)-2,3-dimethylquinoxaline
CID 141314832
1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene
CID 101232592
3-chloro-4-(2-fluoro-4-nitrophenoxy)benzaldehyde
CID 47453575
methyl 4-chloro-2-(2-fluoro-4-nitrophenoxy)-1,3-thiazole-5-carboxylate
CID 61058240
[4-(2-fluoro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80921201

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methylpyridine?
The IUPAC name of 3,5-dichloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methylpyridine (CID 126720280) is 3,5-dichloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methylpyridine.
What is the SMILES notation for 3,5-dichloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methylpyridine?
The canonical SMILES for 3,5-dichloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methylpyridine is Cc1nc(C(C)(C)Oc2ccc([N+](=O)[O-])cc2F)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methylpyridine?
The InChIKey is YCAGJLQTRUGGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O3/c1-8-10(16)7-11(17)14(19-8)15(2,3)23-13-5-4-9(20(21)22)6-12(13)18/h4-7H,1-3H3.
What are the key properties of 3,5-dichloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methylpyridine?
3,5-dichloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methylpyridine has a molecular weight of 359.18 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methylpyridine is sourced from PubChem (CID 126720280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).