4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide

C12H8F3N3O — CID 175895567

IUPAC4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2cncc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H8F3N3O/c13-12(14,15)10-6-17-5-9(18-10)7-1-3-8(4-2-7)11(16)19/h1-6H,(H2,16,19)
InChIKeyVEYYCVYZQSZNPK-UHFFFAOYSA-N
MW267.21 g/mol
LogP2.26
Rot. Bonds2

About 4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide

4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide (PubChem CID 175895567) has the molecular formula C12H8F3N3O and a molecular weight of 267.21 g/mol. Its IUPAC name is 4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide
PubChem CID175895567
Molecular FormulaC12H8F3N3O
Molecular Weight267.21 g/mol
Exact Mass267.06
IUPAC Name4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2cncc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H8F3N3O/c13-12(14,15)10-6-17-5-9(18-10)7-1-3-8(4-2-7)11(16)19/h1-6H,(H2,16,19)
InChIKeyVEYYCVYZQSZNPK-UHFFFAOYSA-N
XLogP2.26
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 175895572
4-[6-(ethylamino)pyrazin-2-yl]benzamide
CID 6482688
2,6-bis[4-(trifluoromethyl)phenyl]pyrazine
CID 44532794
N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide
CID 151068837
4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 139473568
4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
4-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide
CID 6482931
6-[6-(trifluoromethyl)pyrazin-2-yl]-4H-1,4-benzothiazin-3-one
CID 175960589
4-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 99704636
2-[6-(6-amino-3-pyridinyl)pyrazin-2-yl]propan-2-ol
CID 155466010
2-[2-(ethylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide;molecular hydrogen
CID 155733994
4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide
CID 121370392

Frequently Asked Questions

What is the IUPAC name of 4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide?
The IUPAC name of 4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide (CID 175895567) is 4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide.
What is the SMILES notation for 4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide?
The canonical SMILES for 4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide is NC(=O)c1ccc(-c2cncc(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide?
The InChIKey is VEYYCVYZQSZNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O/c13-12(14,15)10-6-17-5-9(18-10)7-1-3-8(4-2-7)11(16)19/h1-6H,(H2,16,19).
What are the key properties of 4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide?
4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide has a molecular weight of 267.21 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide is sourced from PubChem (CID 175895567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).