methyl 6-[[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate

C12H14FN3O3 — CID 126623194

IUPACmethyl 6-[[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H](F)CN2)n1
InChIInChI=1S/C12H14FN3O3/c1-19-12(18)8-3-2-4-10(15-8)16-11(17)9-5-7(13)6-14-9/h2-4,7,9,14H,5-6H2,1H3,(H,15,16,17)/t7-,9+/m1/s1
InChIKeyRKFKZDXBNXUAHX-APPZFPTMSA-N
MW267.26 g/mol
LogP0.51
Rot. Bonds3

About methyl 6-[[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate

methyl 6-[[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate (PubChem CID 126623194) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is methyl 6-[[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate
PubChem CID126623194
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Namemethyl 6-[[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H](F)CN2)n1
InChIInChI=1S/C12H14FN3O3/c1-19-12(18)8-3-2-4-10(15-8)16-11(17)9-5-7(13)6-14-9/h2-4,7,9,14H,5-6H2,1H3,(H,15,16,17)/t7-,9+/m1/s1
InChIKeyRKFKZDXBNXUAHX-APPZFPTMSA-N
XLogP0.51
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate (CID 126623194) is methyl 6-[[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate is COC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H](F)CN2)n1.
What is the InChIKey of methyl 6-[[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate?
The InChIKey is RKFKZDXBNXUAHX-APPZFPTMSA-N. The full InChI is InChI=1S/C12H14FN3O3/c1-19-12(18)8-3-2-4-10(15-8)16-11(17)9-5-7(13)6-14-9/h2-4,7,9,14H,5-6H2,1H3,(H,15,16,17)/t7-,9+/m1/s1.
What are the key properties of methyl 6-[[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate?
methyl 6-[[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate has a molecular weight of 267.26 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 126623194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).