methyl 3-[(6-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylate

C11H14FN3O2 — CID 71996052

IUPACmethyl 3-[(6-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC(Nc2cccc(F)n2)C1
InChIInChI=1S/C11H14FN3O2/c1-17-11(16)15-6-5-8(7-15)13-10-4-2-3-9(12)14-10/h2-4,8H,5-7H2,1H3,(H,13,14)
InChIKeyVOGYKVDDNWRHLT-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.47
Rot. Bonds2

About methyl 3-[(6-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylate

methyl 3-[(6-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylate (PubChem CID 71996052) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is methyl 3-[(6-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(6-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylate
PubChem CID71996052
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Namemethyl 3-[(6-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC(Nc2cccc(F)n2)C1
InChIInChI=1S/C11H14FN3O2/c1-17-11(16)15-6-5-8(7-15)13-10-4-2-3-9(12)14-10/h2-4,8H,5-7H2,1H3,(H,13,14)
InChIKeyVOGYKVDDNWRHLT-UHFFFAOYSA-N
XLogP1.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3R)-3-[[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 169090339
6-fluoro-N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyridin-2-amine
CID 133308336
6-fluoro-N-(1-propan-2-ylazetidin-3-yl)pyridin-2-amine
CID 130620537
methyl 6-[(1-acetylpyrrolidin-3-yl)amino]-2-methylpyridine-3-carboxylate
CID 133420318
methyl 4-[(1-chloroisoquinolin-3-yl)amino]piperidine-1-carboxylate
CID 133273500
(5-carbamoyl-2-adamantyl) 3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 75970416
ethyl 3-[(6-fluoro-2-pyridinyl)amino]cyclohexane-1-carboxylate
CID 116813100
N-[1-(6-fluoropyridine-2-carbonyl)piperidin-4-yl]butanamide
CID 115497488
methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 133273523
N-(3,4-dimethylcyclohexyl)-6-fluoropyridin-2-amine
CID 64741980
N-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide
CID 166407641
tert-butyl (3S)-3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]pyrrolidine-1-carboxylate
CID 66569909

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylate?
The IUPAC name of methyl 3-[(6-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylate (CID 71996052) is methyl 3-[(6-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 3-[(6-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylate?
The canonical SMILES for methyl 3-[(6-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylate is COC(=O)N1CCC(Nc2cccc(F)n2)C1.
What is the InChIKey of methyl 3-[(6-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylate?
The InChIKey is VOGYKVDDNWRHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-17-11(16)15-6-5-8(7-15)13-10-4-2-3-9(12)14-10/h2-4,8H,5-7H2,1H3,(H,13,14).
What are the key properties of methyl 3-[(6-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylate?
methyl 3-[(6-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylate has a molecular weight of 239.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 71996052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).