2-methylpropyl 5-(difluoromethyl)pyrazine-2-carboxylate

C10H12F2N2O2 — CID 123532816

IUPAC2-methylpropyl 5-(difluoromethyl)pyrazine-2-carboxylate
SMILESCC(C)COC(=O)c1cnc(C(F)F)cn1
InChIInChI=1S/C10H12F2N2O2/c1-6(2)5-16-10(15)8-4-13-7(3-14-8)9(11)12/h3-4,6,9H,5H2,1-2H3
InChIKeyFLYWPTOWNFGRKC-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.23
Rot. Bonds4

About 2-methylpropyl 5-(difluoromethyl)pyrazine-2-carboxylate

2-methylpropyl 5-(difluoromethyl)pyrazine-2-carboxylate (PubChem CID 123532816) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 2-methylpropyl 5-(difluoromethyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 5-(difluoromethyl)pyrazine-2-carboxylate
PubChem CID123532816
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name2-methylpropyl 5-(difluoromethyl)pyrazine-2-carboxylate
SMILESCC(C)COC(=O)c1cnc(C(F)F)cn1
InChIInChI=1S/C10H12F2N2O2/c1-6(2)5-16-10(15)8-4-13-7(3-14-8)9(11)12/h3-4,6,9H,5H2,1-2H3
InChIKeyFLYWPTOWNFGRKC-UHFFFAOYSA-N
XLogP2.23
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methylpropyl 5-(difluoromethyl)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

Methyl pyrazinoate
CID 72662
Ethyl pyrazinecarboxylate
CID 81341
Methyl 5-chloropyrazine-2-carboxylate
CID 406081
Propyl pyrazinoate
CID 72507
Pyrazinecarboxylic acid, 2-(dimethylamino)ethyl ester
CID 122708
Pyrazinecarboxylic acid, 2,2,2-trifluoroethyl ester
CID 122709
Prop-2-en-1-yl pyrazine-2-carboxylate
CID 122711
tert-Butyl 5-chloropyrazine-2-carboxylate
CID 406083
Ethyl 5-chloropyrazine-2-carboxylate
CID 465025
Methyl 5-fluoropyrazine-2-carboxylate
CID 465060
2-Pyrazinecarboxylic acid, 5-methyl-, methyl ester
CID 465065
[2-[Di(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2401655

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 5-(difluoromethyl)pyrazine-2-carboxylate?
The IUPAC name of 2-methylpropyl 5-(difluoromethyl)pyrazine-2-carboxylate (CID 123532816) is 2-methylpropyl 5-(difluoromethyl)pyrazine-2-carboxylate.
What is the SMILES notation for 2-methylpropyl 5-(difluoromethyl)pyrazine-2-carboxylate?
The canonical SMILES for 2-methylpropyl 5-(difluoromethyl)pyrazine-2-carboxylate is CC(C)COC(=O)c1cnc(C(F)F)cn1.
What is the InChIKey of 2-methylpropyl 5-(difluoromethyl)pyrazine-2-carboxylate?
The InChIKey is FLYWPTOWNFGRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-6(2)5-16-10(15)8-4-13-7(3-14-8)9(11)12/h3-4,6,9H,5H2,1-2H3.
What are the key properties of 2-methylpropyl 5-(difluoromethyl)pyrazine-2-carboxylate?
2-methylpropyl 5-(difluoromethyl)pyrazine-2-carboxylate has a molecular weight of 230.21 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 5-(difluoromethyl)pyrazine-2-carboxylate is sourced from PubChem (CID 123532816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).