6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]quinoline

C15H8ClF3N2 — CID 102716462

IUPAC6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]quinoline
SMILESFC(F)(F)c1cc(Cl)nc(-c2ccc3ncccc3c2)c1
InChIInChI=1S/C15H8ClF3N2/c16-14-8-11(15(17,18)19)7-13(21-14)10-3-4-12-9(6-10)2-1-5-20-12/h1-8H
InChIKeyBVEQSVYTSSVVIO-UHFFFAOYSA-N
MW308.69 g/mol
LogP4.97
Rot. Bonds1

About 6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]quinoline

6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]quinoline (PubChem CID 102716462) has the molecular formula C15H8ClF3N2 and a molecular weight of 308.69 g/mol. Its IUPAC name is 6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]quinoline.

Molecular Properties

Compound Name6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]quinoline
PubChem CID102716462
Molecular FormulaC15H8ClF3N2
Molecular Weight308.69 g/mol
Exact Mass308.03
IUPAC Name6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]quinoline
SMILESFC(F)(F)c1cc(Cl)nc(-c2ccc3ncccc3c2)c1
InChIInChI=1S/C15H8ClF3N2/c16-14-8-11(15(17,18)19)7-13(21-14)10-3-4-12-9(6-10)2-1-5-20-12/h1-8H
InChIKeyBVEQSVYTSSVVIO-UHFFFAOYSA-N
XLogP4.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 54.97
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

6-(6-chloropyridazin-3-yl)quinoline
CID 81221489
6-[6-(trifluoromethyl)-3-pyridinyl]quinoline
CID 175877978
2-chloro-6-(3,5-difluorophenyl)-4-(trifluoromethyl)pyridine
CID 102716375
2-chloro-7-quinolin-6-ylquinoline
CID 176598696
6-[4-(4-pyridin-2-ylphenyl)-6-quinolin-6-yl-2-pyridinyl]quinoline
CID 122416232
2-phenyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine
CID 135069582
4-methyl-6-quinolin-6-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 171687141
6-(3-methylphenyl)quinoline
CID 4185278
4-(5-chloro-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 86659733
5-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine
CID 102716508
3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline
CID 171056228
(2R)-2-[4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid
CID 97136587

Frequently Asked Questions

What is the IUPAC name of 6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]quinoline?
The IUPAC name of 6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]quinoline (CID 102716462) is 6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]quinoline.
What is the SMILES notation for 6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]quinoline?
The canonical SMILES for 6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]quinoline is FC(F)(F)c1cc(Cl)nc(-c2ccc3ncccc3c2)c1.
What is the InChIKey of 6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]quinoline?
The InChIKey is BVEQSVYTSSVVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N2/c16-14-8-11(15(17,18)19)7-13(21-14)10-3-4-12-9(6-10)2-1-5-20-12/h1-8H.
What are the key properties of 6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]quinoline?
6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]quinoline has a molecular weight of 308.69 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]quinoline is sourced from PubChem (CID 102716462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).