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

C19H11F3N4 — CID 122534079

IUPAC6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazoline
SMILESFC(F)(F)c1cccc(-c2ncccc2-c2ccc3ncncc3c2)n1
InChIInChI=1S/C19H11F3N4/c20-19(21,22)17-5-1-4-16(26-17)18-14(3-2-8-24-18)12-6-7-15-13(9-12)10-23-11-25-15/h1-11H
InChIKeyKRVKOONFHKJYJC-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.77
Rot. Bonds2

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

6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazoline (PubChem CID 122534079) 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]quinazoline.

Molecular Properties

Compound Name6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazoline
PubChem CID122534079
Molecular FormulaC19H11F3N4
Molecular Weight352.32 g/mol
Exact Mass352.09
IUPAC Name6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazoline
SMILESFC(F)(F)c1cccc(-c2ncccc2-c2ccc3ncncc3c2)n1
InChIInChI=1S/C19H11F3N4/c20-19(21,22)17-5-1-4-16(26-17)18-14(3-2-8-24-18)12-6-7-15-13(9-12)10-23-11-25-15/h1-11H
InChIKeyKRVKOONFHKJYJC-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]quinoxaline
CID 122478594
6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazoline
CID 174843090
trimethyl-[2-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]ethynyl]silane
CID 174843590
4-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]morpholine
CID 174954030
2-pyridin-2-yl-6-(trifluoromethyl)pyridine
CID 72771068
7-[2-(2-methylphenyl)-3-pyridinyl]quinazoline
CID 151094082
6-[6-(trifluoromethyl)-3-pyridinyl]quinoline
CID 175877978
7-(1,8-naphthyridin-3-yl)-2-quinazolin-6-ylquinoxaline
CID 155076503
2-quinazolin-6-ylquinoxaline
CID 135299830
6-[6-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 174793000
4-pyridin-2-yl-2,6-bis(trifluoromethyl)pyridine
CID 122219942
6-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]quinazoline
CID 167082968

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazoline?
The IUPAC name of 6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazoline (CID 122534079) is 6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazoline.
What is the SMILES notation for 6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazoline?
The canonical SMILES for 6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazoline is FC(F)(F)c1cccc(-c2ncccc2-c2ccc3ncncc3c2)n1.
What is the InChIKey of 6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazoline?
The InChIKey is KRVKOONFHKJYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N4/c20-19(21,22)17-5-1-4-16(26-17)18-14(3-2-8-24-18)12-6-7-15-13(9-12)10-23-11-25-15/h1-11H.
What are the key properties of 6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazoline?
6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazoline 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]quinazoline is sourced from PubChem (CID 122534079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).