methyl (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylate

C10H12FN3O2 — CID 154635452

IUPACmethyl (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCN(c2cncc(F)n2)C1
InChIInChI=1S/C10H12FN3O2/c1-16-10(15)7-2-3-14(6-7)9-5-12-4-8(11)13-9/h4-5,7H,2-3,6H2,1H3/t7-/m0/s1
InChIKeyRZNVRKMZUIBNFA-ZETCQYMHSA-N
MW225.22 g/mol
LogP0.62
Rot. Bonds2

About methyl (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylate

methyl (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylate (PubChem CID 154635452) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is methyl (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylate
PubChem CID154635452
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Namemethyl (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCN(c2cncc(F)n2)C1
InChIInChI=1S/C10H12FN3O2/c1-16-10(15)7-2-3-14(6-7)9-5-12-4-8(11)13-9/h4-5,7H,2-3,6H2,1H3/t7-/m0/s1
InChIKeyRZNVRKMZUIBNFA-ZETCQYMHSA-N
XLogP0.62
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3S)-1-(5-bromo-6-fluoro-2-pyridinyl)pyrrolidine-3-carboxylate
CID 154635467
methyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456031
methyl (3R)-1-(2-fluoro-4-pyridinyl)pyrrolidine-3-carboxylate
CID 129497903
methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate
CID 78984051
methyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 136989698
methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 112731117
methyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate
CID 66449740
methyl 1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxylate
CID 114287746
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
methyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylate
CID 112731125
methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxylate
CID 112731118
methyl 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylate
CID 78918761

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylate (CID 154635452) is methyl (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylate is COC(=O)[C@H]1CCN(c2cncc(F)n2)C1.
What is the InChIKey of methyl (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylate?
The InChIKey is RZNVRKMZUIBNFA-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12FN3O2/c1-16-10(15)7-2-3-14(6-7)9-5-12-4-8(11)13-9/h4-5,7H,2-3,6H2,1H3/t7-/m0/s1.
What are the key properties of methyl (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylate?
methyl (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylate has a molecular weight of 225.22 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 154635452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).