2-(2-chloro-4-pyridinyl)-4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methylpyridine

C19H14ClF3N2O — CID 86615448

IUPAC2-(2-chloro-4-pyridinyl)-4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methylpyridine
SMILESCOc1cc(-c2cc(C)nc(-c3ccnc(Cl)c3)c2)ccc1C(F)(F)F
InChIInChI=1S/C19H14ClF3N2O/c1-11-7-14(8-16(25-11)13-5-6-24-18(20)10-13)12-3-4-15(19(21,22)23)17(9-12)26-2/h3-10H,1-2H3
InChIKeyZAXCQLIKWNQHQL-UHFFFAOYSA-N
MW378.78 g/mol
LogP5.80
Rot. Bonds3

About 2-(2-chloro-4-pyridinyl)-4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methylpyridine

2-(2-chloro-4-pyridinyl)-4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methylpyridine (PubChem CID 86615448) has the molecular formula C19H14ClF3N2O and a molecular weight of 378.78 g/mol. Its IUPAC name is 2-(2-chloro-4-pyridinyl)-4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methylpyridine.

Molecular Properties

Compound Name2-(2-chloro-4-pyridinyl)-4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methylpyridine
PubChem CID86615448
Molecular FormulaC19H14ClF3N2O
Molecular Weight378.78 g/mol
Exact Mass378.07
IUPAC Name2-(2-chloro-4-pyridinyl)-4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methylpyridine
SMILESCOc1cc(-c2cc(C)nc(-c3ccnc(Cl)c3)c2)ccc1C(F)(F)F
InChIInChI=1S/C19H14ClF3N2O/c1-11-7-14(8-16(25-11)13-5-6-24-18(20)10-13)12-3-4-15(19(21,22)23)17(9-12)26-2/h3-10H,1-2H3
InChIKeyZAXCQLIKWNQHQL-UHFFFAOYSA-N
XLogP5.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.78
LogP ≤ 55.80
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-(2-chloro-4-pyridinyl)-4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methylpyridine?
The IUPAC name of 2-(2-chloro-4-pyridinyl)-4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methylpyridine (CID 86615448) is 2-(2-chloro-4-pyridinyl)-4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methylpyridine.
What is the SMILES notation for 2-(2-chloro-4-pyridinyl)-4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methylpyridine?
The canonical SMILES for 2-(2-chloro-4-pyridinyl)-4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methylpyridine is COc1cc(-c2cc(C)nc(-c3ccnc(Cl)c3)c2)ccc1C(F)(F)F.
What is the InChIKey of 2-(2-chloro-4-pyridinyl)-4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methylpyridine?
The InChIKey is ZAXCQLIKWNQHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O/c1-11-7-14(8-16(25-11)13-5-6-24-18(20)10-13)12-3-4-15(19(21,22)23)17(9-12)26-2/h3-10H,1-2H3.
What are the key properties of 2-(2-chloro-4-pyridinyl)-4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methylpyridine?
2-(2-chloro-4-pyridinyl)-4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methylpyridine has a molecular weight of 378.78 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyridinyl)-4-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methylpyridine is sourced from PubChem (CID 86615448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).