6-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]pyridine-3-carbonitrile

C16H9F3N6 — CID 162658430

IUPAC6-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)nc1
InChIInChI=1S/C16H9F3N6/c17-16(18,19)13-4-2-10(7-23-13)14-15(21)24-8-12(25-14)11-3-1-9(5-20)6-22-11/h1-4,6-8H,(H2,21,24)
InChIKeyMDEQKFMTMKVZEE-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.07
Rot. Bonds2

About 6-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]pyridine-3-carbonitrile

6-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]pyridine-3-carbonitrile (PubChem CID 162658430) has the molecular formula C16H9F3N6 and a molecular weight of 342.28 g/mol. Its IUPAC name is 6-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]pyridine-3-carbonitrile
PubChem CID162658430
Molecular FormulaC16H9F3N6
Molecular Weight342.28 g/mol
Exact Mass342.08
IUPAC Name6-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)nc1
InChIInChI=1S/C16H9F3N6/c17-16(18,19)13-4-2-10(7-23-13)14-15(21)24-8-12(25-14)11-3-1-9(5-20)6-22-11/h1-4,6-8H,(H2,21,24)
InChIKeyMDEQKFMTMKVZEE-UHFFFAOYSA-N
XLogP3.07
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]pyridine-3-carbonitrile (CID 162658430) is 6-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]pyridine-3-carbonitrile is N#Cc1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)nc1.
What is the InChIKey of 6-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]pyridine-3-carbonitrile?
The InChIKey is MDEQKFMTMKVZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N6/c17-16(18,19)13-4-2-10(7-23-13)14-15(21)24-8-12(25-14)11-3-1-9(5-20)6-22-11/h1-4,6-8H,(H2,21,24).
What are the key properties of 6-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]pyridine-3-carbonitrile?
6-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]pyridine-3-carbonitrile has a molecular weight of 342.28 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 162658430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).