6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid

C12H7F3N2O3 — CID 15790812

IUPAC6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H7F3N2O3/c13-12(14,15)7-2-1-3-8(4-7)20-10-6-16-5-9(17-10)11(18)19/h1-6H,(H,18,19)
InChIKeyKVWROPZGKLJZJG-UHFFFAOYSA-N
MW284.19 g/mol
LogP2.99
Rot. Bonds3

About 6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid

6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid (PubChem CID 15790812) has the molecular formula C12H7F3N2O3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid
PubChem CID15790812
Molecular FormulaC12H7F3N2O3
Molecular Weight284.19 g/mol
Exact Mass284.04
IUPAC Name6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H7F3N2O3/c13-12(14,15)7-2-1-3-8(4-7)20-10-6-16-5-9(17-10)11(18)19/h1-6H,(H,18,19)
InChIKeyKVWROPZGKLJZJG-UHFFFAOYSA-N
XLogP2.99
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 4271775
6-(3-propan-2-ylphenoxy)pyrazine-2-carboxylic acid
CID 66457073
6-(3-methylsulfonylphenoxy)pyrazine-2-carboxylic acid
CID 66458475
5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 81446828
N-propyl-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 18326225
6-phenoxypyrazine-2-carboxamide
CID 21218509
4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine
CID 21471060
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 71150981
3-[[2,6-bis[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]pyridine-4-carboxylic acid
CID 88891445
1-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 122183073
6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine-4-carboxylic acid
CID 157036894

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid (CID 15790812) is 6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid is O=C(O)c1cncc(Oc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid?
The InChIKey is KVWROPZGKLJZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O3/c13-12(14,15)7-2-1-3-8(4-7)20-10-6-16-5-9(17-10)11(18)19/h1-6H,(H,18,19).
What are the key properties of 6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid?
6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid has a molecular weight of 284.19 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid is sourced from PubChem (CID 15790812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).