methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate

C13H15FN2O3 — CID 61295467

IUPACmethyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1ccnc(F)c1
InChIInChI=1S/C13H15FN2O3/c1-19-13(18)10-4-2-3-7-16(10)12(17)9-5-6-15-11(14)8-9/h5-6,8,10H,2-4,7H2,1H3
InChIKeyQMPDFTDIVOOAHT-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.39
Rot. Bonds2

About methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate

methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate (PubChem CID 61295467) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate
PubChem CID61295467
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Namemethyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1ccnc(F)c1
InChIInChI=1S/C13H15FN2O3/c1-19-13(18)10-4-2-3-7-16(10)12(17)9-5-6-15-11(14)8-9/h5-6,8,10H,2-4,7H2,1H3
InChIKeyQMPDFTDIVOOAHT-UHFFFAOYSA-N
XLogP1.39
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-[2-[(methoxycarbonylamino)methyl]pyridine-4-carbonyl]piperidine-2-carboxylate
CID 112531565
methyl (2R)-1-(pyridazine-4-carbonyl)piperidine-2-carboxylate
CID 103867070
methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate
CID 115280018
methyl (2R)-1-(3,4,5-trifluorobenzoyl)piperidine-2-carboxylate
CID 79835988
methyl 1-(3,4,5-trifluorobenzoyl)piperidine-2-carboxylate
CID 63188918
N-cyclopropyl-1-(2-fluoropyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 61293291
methyl (2R)-1-[2-(cyclopropylmethoxy)pyridine-4-carbonyl]pyrrolidine-2-carboxylate
CID 124727916
methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate
CID 113256468
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate
CID 103957429
methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
CID 79833087
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate (CID 61295467) is methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1ccnc(F)c1.
What is the InChIKey of methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate?
The InChIKey is QMPDFTDIVOOAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-19-13(18)10-4-2-3-7-16(10)12(17)9-5-6-15-11(14)8-9/h5-6,8,10H,2-4,7H2,1H3.
What are the key properties of methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate?
methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate has a molecular weight of 266.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 61295467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).