methyl 2-[(6-fluoropyridine-2-carbonyl)amino]propanoate

C10H11FN2O3 — CID 112703953

IUPACmethyl 2-[(6-fluoropyridine-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1cccc(F)n1
InChIInChI=1S/C10H11FN2O3/c1-6(10(15)16-2)12-9(14)7-4-3-5-8(11)13-7/h3-6H,1-2H3,(H,12,14)
InChIKeyHINQEJZGTRTWNW-UHFFFAOYSA-N
MW226.21 g/mol
LogP0.51
Rot. Bonds3

About methyl 2-[(6-fluoropyridine-2-carbonyl)amino]propanoate

methyl 2-[(6-fluoropyridine-2-carbonyl)amino]propanoate (PubChem CID 112703953) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is methyl 2-[(6-fluoropyridine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(6-fluoropyridine-2-carbonyl)amino]propanoate
PubChem CID112703953
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Namemethyl 2-[(6-fluoropyridine-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1cccc(F)n1
InChIInChI=1S/C10H11FN2O3/c1-6(10(15)16-2)12-9(14)7-4-3-5-8(11)13-7/h3-6H,1-2H3,(H,12,14)
InChIKeyHINQEJZGTRTWNW-UHFFFAOYSA-N
XLogP0.51
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.51
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

N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-2-carboxamide
CID 115869084
6-fluoro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 115497979
6-fluoro-N-pent-4-yn-2-ylpyridine-2-carboxamide
CID 115869130
6-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 115497321
methyl (2S)-2-[[2-[[2-[[6-[[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]carbamoyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoyl]amino]benzoyl]amino]propanoate
CID 102216653
(2S)-2-[(6-fluoropyridine-2-carbonyl)amino]butanedioic acid
CID 115496524
6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide
CID 102904926
methyl 2-[(6-fluoropyridine-3-carbonyl)amino]propanoate
CID 63977637
6-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2-carboxamide
CID 103950214
propan-2-yl 6-fluoropyridine-2-carboxylate
CID 57438917
N-(3-amino-2-hydroxy-3-oxopropyl)-6-fluoropyridine-2-carboxamide
CID 106166087
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate
CID 61499841

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-fluoropyridine-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-[(6-fluoropyridine-2-carbonyl)amino]propanoate (CID 112703953) is methyl 2-[(6-fluoropyridine-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(6-fluoropyridine-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[(6-fluoropyridine-2-carbonyl)amino]propanoate is COC(=O)C(C)NC(=O)c1cccc(F)n1.
What is the InChIKey of methyl 2-[(6-fluoropyridine-2-carbonyl)amino]propanoate?
The InChIKey is HINQEJZGTRTWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c1-6(10(15)16-2)12-9(14)7-4-3-5-8(11)13-7/h3-6H,1-2H3,(H,12,14).
What are the key properties of methyl 2-[(6-fluoropyridine-2-carbonyl)amino]propanoate?
methyl 2-[(6-fluoropyridine-2-carbonyl)amino]propanoate has a molecular weight of 226.21 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-fluoropyridine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 112703953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).