6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinoxaline

C19H11F3N4 — CID 122478594

IUPAC6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinoxaline
SMILESFC(F)(F)c1cccc(-c2ncccc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C19H11F3N4/c20-19(21,22)17-5-1-4-15(26-17)18-13(3-2-8-25-18)12-6-7-14-16(11-12)24-10-9-23-14/h1-11H
InChIKeyMQNBKVRVTGHUOO-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.77
Rot. Bonds2

About 6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinoxaline

6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinoxaline (PubChem CID 122478594) has the molecular formula C19H11F3N4 and a molecular weight of 352.32 g/mol. Its IUPAC name is 6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinoxaline.

Molecular Properties

Compound Name6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinoxaline
PubChem CID122478594
Molecular FormulaC19H11F3N4
Molecular Weight352.32 g/mol
Exact Mass352.09
IUPAC Name6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinoxaline
SMILESFC(F)(F)c1cccc(-c2ncccc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C19H11F3N4/c20-19(21,22)17-5-1-4-15(26-17)18-13(3-2-8-25-18)12-6-7-14-16(11-12)24-10-9-23-14/h1-11H
InChIKeyMQNBKVRVTGHUOO-UHFFFAOYSA-N
XLogP4.77
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazoline
CID 122534079
2-pyridin-2-yl-6-(trifluoromethyl)pyridine
CID 72771068
6-[2-(3-methylphenyl)-3-pyridinyl]quinoxaline
CID 90095667
6-[6-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 174793000
4-pyridin-2-yl-2,6-bis(trifluoromethyl)pyridine
CID 122219942
3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1,2-oxazole
CID 22180762
6-[6-(trifluoromethyl)-3-pyridinyl]quinoline
CID 175877978
4-quinolin-7-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563437
3-(4-methylphenyl)-2-pyridin-2-ylpyridine
CID 138756955
6-[5-(6-methyl-2-pyridinyl)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline
CID 70234717
2-(1H-imidazol-2-yl)-6-(trifluoromethyl)pyridine
CID 141380652
6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline
CID 44545580

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinoxaline?
The IUPAC name of 6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinoxaline (CID 122478594) is 6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinoxaline.
What is the SMILES notation for 6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinoxaline?
The canonical SMILES for 6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinoxaline is FC(F)(F)c1cccc(-c2ncccc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinoxaline?
The InChIKey is MQNBKVRVTGHUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N4/c20-19(21,22)17-5-1-4-15(26-17)18-13(3-2-8-25-18)12-6-7-14-16(11-12)24-10-9-23-14/h1-11H.
What are the key properties of 6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinoxaline?
6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinoxaline has a molecular weight of 352.32 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinoxaline is sourced from PubChem (CID 122478594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).