6-(3-propan-2-ylphenoxy)pyrazine-2-carboxylic acid

C14H14N2O3 — CID 66457073

IUPAC6-(3-propan-2-ylphenoxy)pyrazine-2-carboxylic acid
SMILESCC(C)c1cccc(Oc2cncc(C(=O)O)n2)c1
InChIInChI=1S/C14H14N2O3/c1-9(2)10-4-3-5-11(6-10)19-13-8-15-7-12(16-13)14(17)18/h3-9H,1-2H3,(H,17,18)
InChIKeyLNMKBXHWOKBPNL-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.09
Rot. Bonds4

About 6-(3-propan-2-ylphenoxy)pyrazine-2-carboxylic acid

6-(3-propan-2-ylphenoxy)pyrazine-2-carboxylic acid (PubChem CID 66457073) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-(3-propan-2-ylphenoxy)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-propan-2-ylphenoxy)pyrazine-2-carboxylic acid
PubChem CID66457073
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name6-(3-propan-2-ylphenoxy)pyrazine-2-carboxylic acid
SMILESCC(C)c1cccc(Oc2cncc(C(=O)O)n2)c1
InChIInChI=1S/C14H14N2O3/c1-9(2)10-4-3-5-11(6-10)19-13-8-15-7-12(16-13)14(17)18/h3-9H,1-2H3,(H,17,18)
InChIKeyLNMKBXHWOKBPNL-UHFFFAOYSA-N
XLogP3.09
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methylsulfonylphenoxy)pyrazine-2-carboxylic acid
CID 66458475
6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid
CID 15790812
N-methyl-6-(3-propan-2-ylphenoxy)pyrazin-2-amine
CID 80863588
methyl 6-(3-methoxyphenoxy)pyrazine-2-carboxylate
CID 66457667
2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 43343545
6-(4-propan-2-ylphenoxy)pyridine-2-carboxylic acid
CID 62253003
6-propan-2-yloxypyrazine-2-carboxylic acid
CID 65440453
6-phenoxypyrazine-2-carboxamide
CID 21218509
6-(4-propylphenoxy)pyrazine-2-carboxylic acid
CID 66456710
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
2-amino-5-(3-propan-2-ylphenoxy)benzoic acid
CID 60986562
6-(2-methylpropoxy)pyrazine-2-carboxylic acid
CID 66456877

Frequently Asked Questions

What is the IUPAC name of 6-(3-propan-2-ylphenoxy)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(3-propan-2-ylphenoxy)pyrazine-2-carboxylic acid (CID 66457073) is 6-(3-propan-2-ylphenoxy)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(3-propan-2-ylphenoxy)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(3-propan-2-ylphenoxy)pyrazine-2-carboxylic acid is CC(C)c1cccc(Oc2cncc(C(=O)O)n2)c1.
What is the InChIKey of 6-(3-propan-2-ylphenoxy)pyrazine-2-carboxylic acid?
The InChIKey is LNMKBXHWOKBPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9(2)10-4-3-5-11(6-10)19-13-8-15-7-12(16-13)14(17)18/h3-9H,1-2H3,(H,17,18).
What are the key properties of 6-(3-propan-2-ylphenoxy)pyrazine-2-carboxylic acid?
6-(3-propan-2-ylphenoxy)pyrazine-2-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-propan-2-ylphenoxy)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66457073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).