2-chloro-6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-3-pentan-3-yloxypyridine

C19H21ClF3NO2 — CID 21104778

IUPAC2-chloro-6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-3-pentan-3-yloxypyridine
SMILESCCC(CC)Oc1cc(C)c(-c2ccc(C(F)(F)F)cc2OC)nc1Cl
InChIInChI=1S/C19H21ClF3NO2/c1-5-13(6-2)26-16-9-11(3)17(24-18(16)20)14-8-7-12(19(21,22)23)10-15(14)25-4/h7-10,13H,5-6H2,1-4H3
InChIKeyPNYWVOJOPKNCRX-UHFFFAOYSA-N
MW387.83 g/mol
LogP6.31
Rot. Bonds6

About 2-chloro-6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-3-pentan-3-yloxypyridine

2-chloro-6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-3-pentan-3-yloxypyridine (PubChem CID 21104778) has the molecular formula C19H21ClF3NO2 and a molecular weight of 387.83 g/mol. Its IUPAC name is 2-chloro-6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-3-pentan-3-yloxypyridine.

Molecular Properties

Compound Name2-chloro-6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-3-pentan-3-yloxypyridine
PubChem CID21104778
Molecular FormulaC19H21ClF3NO2
Molecular Weight387.83 g/mol
Exact Mass387.12
IUPAC Name2-chloro-6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-3-pentan-3-yloxypyridine
SMILESCCC(CC)Oc1cc(C)c(-c2ccc(C(F)(F)F)cc2OC)nc1Cl
InChIInChI=1S/C19H21ClF3NO2/c1-5-13(6-2)26-16-9-11(3)17(24-18(16)20)14-8-7-12(19(21,22)23)10-15(14)25-4/h7-10,13H,5-6H2,1-4H3
InChIKeyPNYWVOJOPKNCRX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-3-pentan-3-yloxypyridine?
The IUPAC name of 2-chloro-6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-3-pentan-3-yloxypyridine (CID 21104778) is 2-chloro-6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-3-pentan-3-yloxypyridine.
What is the SMILES notation for 2-chloro-6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-3-pentan-3-yloxypyridine?
The canonical SMILES for 2-chloro-6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-3-pentan-3-yloxypyridine is CCC(CC)Oc1cc(C)c(-c2ccc(C(F)(F)F)cc2OC)nc1Cl.
What is the InChIKey of 2-chloro-6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-3-pentan-3-yloxypyridine?
The InChIKey is PNYWVOJOPKNCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF3NO2/c1-5-13(6-2)26-16-9-11(3)17(24-18(16)20)14-8-7-12(19(21,22)23)10-15(14)25-4/h7-10,13H,5-6H2,1-4H3.
What are the key properties of 2-chloro-6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-3-pentan-3-yloxypyridine?
2-chloro-6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-3-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 2-chloro-6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-3-pentan-3-yloxypyridine is sourced from PubChem (CID 21104778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).