(2-chloro-4-fluorophenyl) pyrazine-2-carboxylate

C11H6ClFN2O2 — CID 154672749

IUPAC(2-chloro-4-fluorophenyl) pyrazine-2-carboxylate
SMILESO=C(Oc1ccc(F)cc1Cl)c1cnccn1
InChIInChI=1S/C11H6ClFN2O2/c12-8-5-7(13)1-2-10(8)17-11(16)9-6-14-3-4-15-9/h1-6H
InChIKeyRTKCZCYNGJPPBL-UHFFFAOYSA-N
MW252.63 g/mol
LogP2.49
Rot. Bonds2

About (2-chloro-4-fluorophenyl) pyrazine-2-carboxylate

(2-chloro-4-fluorophenyl) pyrazine-2-carboxylate (PubChem CID 154672749) has the molecular formula C11H6ClFN2O2 and a molecular weight of 252.63 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl) pyrazine-2-carboxylate.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl) pyrazine-2-carboxylate
PubChem CID154672749
Molecular FormulaC11H6ClFN2O2
Molecular Weight252.63 g/mol
Exact Mass252.01
IUPAC Name(2-chloro-4-fluorophenyl) pyrazine-2-carboxylate
SMILESO=C(Oc1ccc(F)cc1Cl)c1cnccn1
InChIInChI=1S/C11H6ClFN2O2/c12-8-5-7(13)1-2-10(8)17-11(16)9-6-14-3-4-15-9/h1-6H
InChIKeyRTKCZCYNGJPPBL-UHFFFAOYSA-N
XLogP2.49
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.63
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2-chloro-4-fluorophenyl) pyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3-Dichlorophenyl) 5-methylpyrazine-2-carboxylate
CID 2448619
Pyrazinecarboxylic acid, pentafluorophenyl ester
CID 122715
Methyl 6-[(2,4-dichlorophenoxy)methyl]-2-pyrazinecarboxylate
CID 155153755
(4-Fluorophenyl) pyrazine-2-carboxylate
CID 465424
5-Phenoxypyrazine-2-carboxylic acid
CID 64267436
[4-[2-(2-Chlorophenoxy)ethyl]piperazin-1-yl]-pyrazin-2-ylmethanone
CID 35800442
(4-Chlorophenyl) pyrazine-2-carboxylate
CID 85705134
Phenyl pyrazine-2-carboxylate
CID 69469384
5-(2-Fluorophenoxy)pyrazine-2-carboxylic acid
CID 46318251
(4-Amino-2-chlorophenyl) 3-methyl-6-(trifluoromethyl)pyrazine-2-carboxylate
CID 67808338
(4-Amino-2-chlorophenyl) 5-tert-butyl-6-(trifluoromethyl)pyrazine-2-carboxylate
CID 67809480
(4-Amino-2-chlorophenyl) 5-methyl-6-(trifluoromethyl)pyrazine-2-carboxylate
CID 67810427

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl) pyrazine-2-carboxylate?
The IUPAC name of (2-chloro-4-fluorophenyl) pyrazine-2-carboxylate (CID 154672749) is (2-chloro-4-fluorophenyl) pyrazine-2-carboxylate.
What is the SMILES notation for (2-chloro-4-fluorophenyl) pyrazine-2-carboxylate?
The canonical SMILES for (2-chloro-4-fluorophenyl) pyrazine-2-carboxylate is O=C(Oc1ccc(F)cc1Cl)c1cnccn1.
What is the InChIKey of (2-chloro-4-fluorophenyl) pyrazine-2-carboxylate?
The InChIKey is RTKCZCYNGJPPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O2/c12-8-5-7(13)1-2-10(8)17-11(16)9-6-14-3-4-15-9/h1-6H.
What are the key properties of (2-chloro-4-fluorophenyl) pyrazine-2-carboxylate?
(2-chloro-4-fluorophenyl) pyrazine-2-carboxylate has a molecular weight of 252.63 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl) pyrazine-2-carboxylate is sourced from PubChem (CID 154672749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).