propan-2-yl 6-chloropyrazine-2-carboxylate

C8H9ClN2O2 — CID 106547521

IUPACpropan-2-yl 6-chloropyrazine-2-carboxylate
SMILESCC(C)OC(=O)c1cncc(Cl)n1
InChIInChI=1S/C8H9ClN2O2/c1-5(2)13-8(12)6-3-10-4-7(9)11-6/h3-5H,1-2H3
InChIKeyYPHKDCRSTGPSTC-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.70
Rot. Bonds2

About propan-2-yl 6-chloropyrazine-2-carboxylate

propan-2-yl 6-chloropyrazine-2-carboxylate (PubChem CID 106547521) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is propan-2-yl 6-chloropyrazine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-chloropyrazine-2-carboxylate
PubChem CID106547521
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Namepropan-2-yl 6-chloropyrazine-2-carboxylate
SMILESCC(C)OC(=O)c1cncc(Cl)n1
InChIInChI=1S/C8H9ClN2O2/c1-5(2)13-8(12)6-3-10-4-7(9)11-6/h3-5H,1-2H3
InChIKeyYPHKDCRSTGPSTC-UHFFFAOYSA-N
XLogP1.70
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 6-chloropyrazine-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

6-propan-2-yloxycarbonylpyrazine-2-carboxylic acid
CID 117212967
propan-2-yl pyrazine-2-carboxylate
CID 3022328
bis(6-chloropyrazin-2-yl)methanone
CID 152688598
tert-butyl (2S)-2-[(6-chloropyrazine-2-carbonyl)amino]propanoate
CID 106551571
propan-2-yl 3,5-dimethylpyridine-4-carboxylate
CID 177327214
propan-2-yl 5-amino-6-methylpyrazine-2-carboxylate
CID 133057217
2-ethylhexyl 6-chloropyrazine-2-carboxylate
CID 106547540
propan-2-yl 5-bromo-2-chloropyridine-4-carboxylate
CID 130572345
(2,6-dimethyloxan-4-yl) 6-chloropyrazine-2-carboxylate
CID 114035408
6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide
CID 106551541
6-chloro-N-(1-methylcyclobutyl)pyrazine-2-carboxamide
CID 103187308
methyl 2-(6-chloropyrazine-2-carbonyl)benzoate
CID 174797309

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-chloropyrazine-2-carboxylate?
The IUPAC name of propan-2-yl 6-chloropyrazine-2-carboxylate (CID 106547521) is propan-2-yl 6-chloropyrazine-2-carboxylate.
What is the SMILES notation for propan-2-yl 6-chloropyrazine-2-carboxylate?
The canonical SMILES for propan-2-yl 6-chloropyrazine-2-carboxylate is CC(C)OC(=O)c1cncc(Cl)n1.
What is the InChIKey of propan-2-yl 6-chloropyrazine-2-carboxylate?
The InChIKey is YPHKDCRSTGPSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-5(2)13-8(12)6-3-10-4-7(9)11-6/h3-5H,1-2H3.
What are the key properties of propan-2-yl 6-chloropyrazine-2-carboxylate?
propan-2-yl 6-chloropyrazine-2-carboxylate has a molecular weight of 200.62 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-chloropyrazine-2-carboxylate is sourced from PubChem (CID 106547521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).