3-[5-(trifluoromethyl)quinolin-8-yl]pyridine-2,6-diamine

C15H11F3N4 — CID 155778420

IUPAC3-[5-(trifluoromethyl)quinolin-8-yl]pyridine-2,6-diamine
SMILESNc1ccc(-c2ccc(C(F)(F)F)c3cccnc23)c(N)n1
InChIInChI=1S/C15H11F3N4/c16-15(17,18)11-5-3-8(13-10(11)2-1-7-21-13)9-4-6-12(19)22-14(9)20/h1-7H,(H4,19,20,22)
InChIKeyFXWIPHLYKSGTRP-UHFFFAOYSA-N
MW304.28 g/mol
LogP3.48
Rot. Bonds1

About 3-[5-(trifluoromethyl)quinolin-8-yl]pyridine-2,6-diamine

3-[5-(trifluoromethyl)quinolin-8-yl]pyridine-2,6-diamine (PubChem CID 155778420) has the molecular formula C15H11F3N4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 3-[5-(trifluoromethyl)quinolin-8-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3-[5-(trifluoromethyl)quinolin-8-yl]pyridine-2,6-diamine
PubChem CID155778420
Molecular FormulaC15H11F3N4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name3-[5-(trifluoromethyl)quinolin-8-yl]pyridine-2,6-diamine
SMILESNc1ccc(-c2ccc(C(F)(F)F)c3cccnc23)c(N)n1
InChIInChI=1S/C15H11F3N4/c16-15(17,18)11-5-3-8(13-10(11)2-1-7-21-13)9-4-6-12(19)22-14(9)20/h1-7H,(H4,19,20,22)
InChIKeyFXWIPHLYKSGTRP-UHFFFAOYSA-N
XLogP3.48
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(trifluoromethyl)quinolin-8-yl]pyridine-2,6-diamine?
The IUPAC name of 3-[5-(trifluoromethyl)quinolin-8-yl]pyridine-2,6-diamine (CID 155778420) is 3-[5-(trifluoromethyl)quinolin-8-yl]pyridine-2,6-diamine.
What is the SMILES notation for 3-[5-(trifluoromethyl)quinolin-8-yl]pyridine-2,6-diamine?
The canonical SMILES for 3-[5-(trifluoromethyl)quinolin-8-yl]pyridine-2,6-diamine is Nc1ccc(-c2ccc(C(F)(F)F)c3cccnc23)c(N)n1.
What is the InChIKey of 3-[5-(trifluoromethyl)quinolin-8-yl]pyridine-2,6-diamine?
The InChIKey is FXWIPHLYKSGTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4/c16-15(17,18)11-5-3-8(13-10(11)2-1-7-21-13)9-4-6-12(19)22-14(9)20/h1-7H,(H4,19,20,22).
What are the key properties of 3-[5-(trifluoromethyl)quinolin-8-yl]pyridine-2,6-diamine?
3-[5-(trifluoromethyl)quinolin-8-yl]pyridine-2,6-diamine has a molecular weight of 304.28 g/mol, XLogP of 3.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(trifluoromethyl)quinolin-8-yl]pyridine-2,6-diamine is sourced from PubChem (CID 155778420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).