5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid

C16H13F3N2O4 — CID 67505135

IUPAC5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(OCC2CC2)c(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C16H13F3N2O4/c17-16(18,19)25-11-5-3-10(4-6-11)13-14(24-8-9-1-2-9)20-7-12(21-13)15(22)23/h3-7,9H,1-2,8H2,(H,22,23)
InChIKeySYUVNLXLBGTEKH-UHFFFAOYSA-N
MW354.28 g/mol
LogP3.53
Rot. Bonds6

About 5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid

5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid (PubChem CID 67505135) has the molecular formula C16H13F3N2O4 and a molecular weight of 354.28 g/mol. Its IUPAC name is 5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid
PubChem CID67505135
Molecular FormulaC16H13F3N2O4
Molecular Weight354.28 g/mol
Exact Mass354.08
IUPAC Name5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(OCC2CC2)c(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C16H13F3N2O4/c17-16(18,19)25-11-5-3-10(4-6-11)13-14(24-8-9-1-2-9)20-7-12(21-13)15(22)23/h3-7,9H,1-2,8H2,(H,22,23)
InChIKeySYUVNLXLBGTEKH-UHFFFAOYSA-N
XLogP3.53
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid (CID 67505135) is 5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(OCC2CC2)c(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid?
The InChIKey is SYUVNLXLBGTEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O4/c17-16(18,19)25-11-5-3-10(4-6-11)13-14(24-8-9-1-2-9)20-7-12(21-13)15(22)23/h3-7,9H,1-2,8H2,(H,22,23).
What are the key properties of 5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid?
5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid has a molecular weight of 354.28 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 67505135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).