2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)pyridine

C14H11ClF3NO2 — CID 102715155

IUPAC2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)pyridine
SMILESCOc1ccc(COc2cc(C(F)(F)F)cc(Cl)n2)cc1
InChIInChI=1S/C14H11ClF3NO2/c1-20-11-4-2-9(3-5-11)8-21-13-7-10(14(16,17)18)6-12(15)19-13/h2-7H,8H2,1H3
InChIKeyDZYJAUZMSRDBLA-UHFFFAOYSA-N
MW317.69 g/mol
LogP4.34
Rot. Bonds4

About 2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)pyridine

2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)pyridine (PubChem CID 102715155) has the molecular formula C14H11ClF3NO2 and a molecular weight of 317.69 g/mol. Its IUPAC name is 2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)pyridine
PubChem CID102715155
Molecular FormulaC14H11ClF3NO2
Molecular Weight317.69 g/mol
Exact Mass317.04
IUPAC Name2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)pyridine
SMILESCOc1ccc(COc2cc(C(F)(F)F)cc(Cl)n2)cc1
InChIInChI=1S/C14H11ClF3NO2/c1-20-11-4-2-9(3-5-11)8-21-13-7-10(14(16,17)18)6-12(15)19-13/h2-7H,8H2,1H3
InChIKeyDZYJAUZMSRDBLA-UHFFFAOYSA-N
XLogP4.34
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.69
LogP ≤ 54.34
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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Related Compounds

2-[4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetonitrile
CID 102715194
2-chloro-6-(3-methylbutoxy)-4-(trifluoromethyl)pyridine
CID 102715140
2,5-dichloro-6-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)pyridine
CID 134106504
2-chloro-6-(2-methoxy-4-methylphenoxy)-4-(trifluoromethyl)pyridine
CID 102715215
2-chloro-6-(3-ethoxyphenoxy)-4-(trifluoromethyl)pyridine
CID 102715253
2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene
CID 177493638
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 43343574
2,3-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine
CID 175075241
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea
CID 2781465
2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-(trifluoromethyl)pyridine
CID 103174626
2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzotriazole
CID 127035403

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)pyridine (CID 102715155) is 2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)pyridine is COc1ccc(COc2cc(C(F)(F)F)cc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)pyridine?
The InChIKey is DZYJAUZMSRDBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO2/c1-20-11-4-2-9(3-5-11)8-21-13-7-10(14(16,17)18)6-12(15)19-13/h2-7H,8H2,1H3.
What are the key properties of 2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)pyridine?
2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)pyridine has a molecular weight of 317.69 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 102715155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).