methyl 1-(6,7-difluoroquinoxalin-2-yl)pyrrolidine-2-carboxylate

C14H13F2N3O2 — CID 102562210

IUPACmethyl 1-(6,7-difluoroquinoxalin-2-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C14H13F2N3O2/c1-21-14(20)12-3-2-4-19(12)13-7-17-10-5-8(15)9(16)6-11(10)18-13/h5-7,12H,2-4H2,1H3
InChIKeyQVSYPQDMDQHHJF-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.05
Rot. Bonds2

About methyl 1-(6,7-difluoroquinoxalin-2-yl)pyrrolidine-2-carboxylate

methyl 1-(6,7-difluoroquinoxalin-2-yl)pyrrolidine-2-carboxylate (PubChem CID 102562210) has the molecular formula C14H13F2N3O2 and a molecular weight of 293.27 g/mol. Its IUPAC name is methyl 1-(6,7-difluoroquinoxalin-2-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6,7-difluoroquinoxalin-2-yl)pyrrolidine-2-carboxylate
PubChem CID102562210
Molecular FormulaC14H13F2N3O2
Molecular Weight293.27 g/mol
Exact Mass293.10
IUPAC Namemethyl 1-(6,7-difluoroquinoxalin-2-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C14H13F2N3O2/c1-21-14(20)12-3-2-4-19(12)13-7-17-10-5-8(15)9(16)6-11(10)18-13/h5-7,12H,2-4H2,1H3
InChIKeyQVSYPQDMDQHHJF-UHFFFAOYSA-N
XLogP2.05
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 62005497
methyl 1-(3,5-difluoro-2-pyridinyl)piperidine-2-carboxylate
CID 112676429
methyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate
CID 115538354
methyl 4-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidine-2-carboxylate
CID 66284729
1-(6,7-difluoroquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 122051206
methyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 146387890
methyl 1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 55031092
methyl (2S)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 99857386
(3S,4R)-3-[(2S)-1-(6,7-difluoroquinoxalin-2-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129491909
methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate
CID 115538357
methyl 1-(5-carbamothioyl-2-pyridinyl)pyrrolidine-2-carboxylate
CID 43473976
methyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate
CID 96706511

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6,7-difluoroquinoxalin-2-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(6,7-difluoroquinoxalin-2-yl)pyrrolidine-2-carboxylate (CID 102562210) is methyl 1-(6,7-difluoroquinoxalin-2-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(6,7-difluoroquinoxalin-2-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(6,7-difluoroquinoxalin-2-yl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1c1cnc2cc(F)c(F)cc2n1.
What is the InChIKey of methyl 1-(6,7-difluoroquinoxalin-2-yl)pyrrolidine-2-carboxylate?
The InChIKey is QVSYPQDMDQHHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O2/c1-21-14(20)12-3-2-4-19(12)13-7-17-10-5-8(15)9(16)6-11(10)18-13/h5-7,12H,2-4H2,1H3.
What are the key properties of methyl 1-(6,7-difluoroquinoxalin-2-yl)pyrrolidine-2-carboxylate?
methyl 1-(6,7-difluoroquinoxalin-2-yl)pyrrolidine-2-carboxylate has a molecular weight of 293.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6,7-difluoroquinoxalin-2-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 102562210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).