2-(2-chloro-4-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine

C20H14ClF3N2 — CID 86615443

IUPAC2-(2-chloro-4-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(-c3ccnc(Cl)c3)nc(C3CC3)c2)cc1
InChIInChI=1S/C20H14ClF3N2/c21-19-11-14(7-8-25-19)18-10-15(9-17(26-18)13-1-2-13)12-3-5-16(6-4-12)20(22,23)24/h3-11,13H,1-2H2
InChIKeyBOGZARVWIOIZRI-UHFFFAOYSA-N
MW374.79 g/mol
LogP6.36
Rot. Bonds3

About 2-(2-chloro-4-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine

2-(2-chloro-4-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 86615443) has the molecular formula C20H14ClF3N2 and a molecular weight of 374.79 g/mol. Its IUPAC name is 2-(2-chloro-4-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-(2-chloro-4-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID86615443
Molecular FormulaC20H14ClF3N2
Molecular Weight374.79 g/mol
Exact Mass374.08
IUPAC Name2-(2-chloro-4-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(-c3ccnc(Cl)c3)nc(C3CC3)c2)cc1
InChIInChI=1S/C20H14ClF3N2/c21-19-11-14(7-8-25-19)18-10-15(9-17(26-18)13-1-2-13)12-3-5-16(6-4-12)20(22,23)24/h3-11,13H,1-2H2
InChIKeyBOGZARVWIOIZRI-UHFFFAOYSA-N
XLogP6.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.79
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-cyclopropyl-6-[4-(trifluoromethyl)phenyl]pyridine
CID 57468630
4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 91014486
2,4-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134617794
2-(2-iodo-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
CID 86615464
2-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 57468773
2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine
CID 58672250
2-cyclopropyl-6-(4-pyridin-3-ylimidazol-1-yl)-4-[4-(trifluoromethyl)phenyl]pyridine
CID 141185340
2-cyclopentyl-4-(trifluoromethyl)pyridine
CID 144787930
1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene
CID 57139215
4-[4-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]pyridine
CID 169293640
5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole
CID 53353035
2-cyclopropyl-6-methyl-4-(trifluoromethyl)pyridine
CID 71573882

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-(2-chloro-4-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine (CID 86615443) is 2-(2-chloro-4-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-(2-chloro-4-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-(2-chloro-4-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1ccc(-c2cc(-c3ccnc(Cl)c3)nc(C3CC3)c2)cc1.
What is the InChIKey of 2-(2-chloro-4-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is BOGZARVWIOIZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2/c21-19-11-14(7-8-25-19)18-10-15(9-17(26-18)13-1-2-13)12-3-5-16(6-4-12)20(22,23)24/h3-11,13H,1-2H2.
What are the key properties of 2-(2-chloro-4-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine?
2-(2-chloro-4-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 374.79 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 86615443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).