methyl 2-chloro-3-[(3-fluoropyridine-4-carbonyl)amino]propanoate

C10H10ClFN2O3 — CID 103492743

IUPACmethyl 2-chloro-3-[(3-fluoropyridine-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(Cl)CNC(=O)c1ccncc1F
InChIInChI=1S/C10H10ClFN2O3/c1-17-10(16)7(11)4-14-9(15)6-2-3-13-5-8(6)12/h2-3,5,7H,4H2,1H3,(H,14,15)
InChIKeyJCZCVSIIJOCRPB-UHFFFAOYSA-N
MW260.65 g/mol
LogP0.73
Rot. Bonds4

About methyl 2-chloro-3-[(3-fluoropyridine-4-carbonyl)amino]propanoate

methyl 2-chloro-3-[(3-fluoropyridine-4-carbonyl)amino]propanoate (PubChem CID 103492743) has the molecular formula C10H10ClFN2O3 and a molecular weight of 260.65 g/mol. Its IUPAC name is methyl 2-chloro-3-[(3-fluoropyridine-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-[(3-fluoropyridine-4-carbonyl)amino]propanoate
PubChem CID103492743
Molecular FormulaC10H10ClFN2O3
Molecular Weight260.65 g/mol
Exact Mass260.04
IUPAC Namemethyl 2-chloro-3-[(3-fluoropyridine-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(Cl)CNC(=O)c1ccncc1F
InChIInChI=1S/C10H10ClFN2O3/c1-17-10(16)7(11)4-14-9(15)6-2-3-13-5-8(6)12/h2-3,5,7H,4H2,1H3,(H,14,15)
InChIKeyJCZCVSIIJOCRPB-UHFFFAOYSA-N
XLogP0.73
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.65
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
CID 105066570
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-fluoropyridine-4-carboxamide;dihydrochloride
CID 119525380
N-[(2S)-2-(3-chlorophenyl)-2-methoxyethyl]-3-fluoropyridine-4-carboxamide
CID 124607627
methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate
CID 113358681
methyl 2-chloro-3-[(3,5-difluorobenzoyl)amino]propanoate
CID 103492785
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
methyl 2-chloro-3-[(5-chloropyridine-2-carbonyl)amino]propanoate
CID 103492919
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
CID 111458220
methyl 2-chloro-3-[(2-iodobenzoyl)amino]propanoate
CID 103492717
N-[(E)-4-chlorobut-2-enyl]-3-fluoropyridine-4-carboxamide
CID 81429360
methyl 2-chloro-3-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate
CID 103492989

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-[(3-fluoropyridine-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-chloro-3-[(3-fluoropyridine-4-carbonyl)amino]propanoate (CID 103492743) is methyl 2-chloro-3-[(3-fluoropyridine-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-chloro-3-[(3-fluoropyridine-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-chloro-3-[(3-fluoropyridine-4-carbonyl)amino]propanoate is COC(=O)C(Cl)CNC(=O)c1ccncc1F.
What is the InChIKey of methyl 2-chloro-3-[(3-fluoropyridine-4-carbonyl)amino]propanoate?
The InChIKey is JCZCVSIIJOCRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O3/c1-17-10(16)7(11)4-14-9(15)6-2-3-13-5-8(6)12/h2-3,5,7H,4H2,1H3,(H,14,15).
What are the key properties of methyl 2-chloro-3-[(3-fluoropyridine-4-carbonyl)amino]propanoate?
methyl 2-chloro-3-[(3-fluoropyridine-4-carbonyl)amino]propanoate has a molecular weight of 260.65 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-[(3-fluoropyridine-4-carbonyl)amino]propanoate is sourced from PubChem (CID 103492743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).