3-amino-6-chloro-5-(1,1-difluoroethyl)pyrazine-2-carboxylic acid

C7H6ClF2N3O2 — CID 86689174

IUPAC3-amino-6-chloro-5-(1,1-difluoroethyl)pyrazine-2-carboxylic acid
SMILESCC(F)(F)c1nc(N)c(C(=O)O)nc1Cl
InChIInChI=1S/C7H6ClF2N3O2/c1-7(9,10)3-4(8)12-2(6(14)15)5(11)13-3/h1H3,(H2,11,13)(H,14,15)
InChIKeyDRXCAHWQNMXUOO-UHFFFAOYSA-N
MW237.59 g/mol
LogP1.52
Rot. Bonds2

About 3-amino-6-chloro-5-(1,1-difluoroethyl)pyrazine-2-carboxylic acid

3-amino-6-chloro-5-(1,1-difluoroethyl)pyrazine-2-carboxylic acid (PubChem CID 86689174) has the molecular formula C7H6ClF2N3O2 and a molecular weight of 237.59 g/mol. Its IUPAC name is 3-amino-6-chloro-5-(1,1-difluoroethyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-chloro-5-(1,1-difluoroethyl)pyrazine-2-carboxylic acid
PubChem CID86689174
Molecular FormulaC7H6ClF2N3O2
Molecular Weight237.59 g/mol
Exact Mass237.01
IUPAC Name3-amino-6-chloro-5-(1,1-difluoroethyl)pyrazine-2-carboxylic acid
SMILESCC(F)(F)c1nc(N)c(C(=O)O)nc1Cl
InChIInChI=1S/C7H6ClF2N3O2/c1-7(9,10)3-4(8)12-2(6(14)15)5(11)13-3/h1H3,(H2,11,13)(H,14,15)
InChIKeyDRXCAHWQNMXUOO-UHFFFAOYSA-N
XLogP1.52
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.59
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-5-(1,1-difluoroethyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-chloro-5-(1,1-difluoroethyl)pyrazine-2-carboxylic acid (CID 86689174) is 3-amino-6-chloro-5-(1,1-difluoroethyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-chloro-5-(1,1-difluoroethyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-chloro-5-(1,1-difluoroethyl)pyrazine-2-carboxylic acid is CC(F)(F)c1nc(N)c(C(=O)O)nc1Cl.
What is the InChIKey of 3-amino-6-chloro-5-(1,1-difluoroethyl)pyrazine-2-carboxylic acid?
The InChIKey is DRXCAHWQNMXUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2N3O2/c1-7(9,10)3-4(8)12-2(6(14)15)5(11)13-3/h1H3,(H2,11,13)(H,14,15).
What are the key properties of 3-amino-6-chloro-5-(1,1-difluoroethyl)pyrazine-2-carboxylic acid?
3-amino-6-chloro-5-(1,1-difluoroethyl)pyrazine-2-carboxylic acid has a molecular weight of 237.59 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-5-(1,1-difluoroethyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 86689174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).