4-chloro-2-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methyl-5-pentan-3-yloxypyridine

C19H21ClF3NO2 — CID 21104827

IUPAC4-chloro-2-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methyl-5-pentan-3-yloxypyridine
SMILESCCC(CC)Oc1cnc(-c2ccc(C(F)(F)F)cc2OC)c(C)c1Cl
InChIInChI=1S/C19H21ClF3NO2/c1-5-13(6-2)26-16-10-24-18(11(3)17(16)20)14-8-7-12(19(21,22)23)9-15(14)25-4/h7-10,13H,5-6H2,1-4H3
InChIKeyOBYNBDMQKPKUDU-UHFFFAOYSA-N
MW387.83 g/mol
LogP6.31
Rot. Bonds6

About 4-chloro-2-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methyl-5-pentan-3-yloxypyridine

4-chloro-2-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methyl-5-pentan-3-yloxypyridine (PubChem CID 21104827) has the molecular formula C19H21ClF3NO2 and a molecular weight of 387.83 g/mol. Its IUPAC name is 4-chloro-2-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methyl-5-pentan-3-yloxypyridine.

Molecular Properties

Compound Name4-chloro-2-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methyl-5-pentan-3-yloxypyridine
PubChem CID21104827
Molecular FormulaC19H21ClF3NO2
Molecular Weight387.83 g/mol
Exact Mass387.12
IUPAC Name4-chloro-2-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methyl-5-pentan-3-yloxypyridine
SMILESCCC(CC)Oc1cnc(-c2ccc(C(F)(F)F)cc2OC)c(C)c1Cl
InChIInChI=1S/C19H21ClF3NO2/c1-5-13(6-2)26-16-10-24-18(11(3)17(16)20)14-8-7-12(19(21,22)23)9-15(14)25-4/h7-10,13H,5-6H2,1-4H3
InChIKeyOBYNBDMQKPKUDU-UHFFFAOYSA-N
XLogP6.31
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.83
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Benzyloxy)-2-chloropyridine
CID 819374
US10155760, Example 238
CID 118419882
US10155760, Example 147
CID 118429884
2-Chloro-3-(3-methoxy-phenyl)-5-((R)-pyrrolidin-3-yloxy)-pyridine
CID 9861289
US10155760, Example 158
CID 118420068
US10155760, Example 240
CID 118420179
US10155760, Example 161
CID 118429749
US10155760, Example 67
CID 118429766
US10155760, Example 143
CID 129279925
US10155760, Example 169
CID 118420060
US10981910, Example 161
CID 118429752
US10155760, Example 159
CID 118429824

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methyl-5-pentan-3-yloxypyridine?
The IUPAC name of 4-chloro-2-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methyl-5-pentan-3-yloxypyridine (CID 21104827) is 4-chloro-2-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methyl-5-pentan-3-yloxypyridine.
What is the SMILES notation for 4-chloro-2-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methyl-5-pentan-3-yloxypyridine?
The canonical SMILES for 4-chloro-2-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methyl-5-pentan-3-yloxypyridine is CCC(CC)Oc1cnc(-c2ccc(C(F)(F)F)cc2OC)c(C)c1Cl.
What is the InChIKey of 4-chloro-2-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methyl-5-pentan-3-yloxypyridine?
The InChIKey is OBYNBDMQKPKUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF3NO2/c1-5-13(6-2)26-16-10-24-18(11(3)17(16)20)14-8-7-12(19(21,22)23)9-15(14)25-4/h7-10,13H,5-6H2,1-4H3.
What are the key properties of 4-chloro-2-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methyl-5-pentan-3-yloxypyridine?
4-chloro-2-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methyl-5-pentan-3-yloxypyridine has a molecular weight of 387.83 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methyl-5-pentan-3-yloxypyridine is sourced from PubChem (CID 21104827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).