3-[(6-chloro-3-pyridinyl)methyl-methylamino]-4-fluoro-2H-furan-5-one

C11H10ClFN2O2 — CID 59843566

IUPAC3-[(6-chloro-3-pyridinyl)methyl-methylamino]-4-fluoro-2H-furan-5-one
SMILESCN(Cc1ccc(Cl)nc1)C1=C(F)C(=O)OC1
InChIInChI=1S/C11H10ClFN2O2/c1-15(8-6-17-11(16)10(8)13)5-7-2-3-9(12)14-4-7/h2-4H,5-6H2,1H3
InChIKeyDHBIDTXSBVKXEU-UHFFFAOYSA-N
MW256.66 g/mol
LogP1.90
Rot. Bonds3

About 3-[(6-chloro-3-pyridinyl)methyl-methylamino]-4-fluoro-2H-furan-5-one

3-[(6-chloro-3-pyridinyl)methyl-methylamino]-4-fluoro-2H-furan-5-one (PubChem CID 59843566) has the molecular formula C11H10ClFN2O2 and a molecular weight of 256.66 g/mol. Its IUPAC name is 3-[(6-chloro-3-pyridinyl)methyl-methylamino]-4-fluoro-2H-furan-5-one.

Molecular Properties

Compound Name3-[(6-chloro-3-pyridinyl)methyl-methylamino]-4-fluoro-2H-furan-5-one
PubChem CID59843566
Molecular FormulaC11H10ClFN2O2
Molecular Weight256.66 g/mol
Exact Mass256.04
IUPAC Name3-[(6-chloro-3-pyridinyl)methyl-methylamino]-4-fluoro-2H-furan-5-one
SMILESCN(Cc1ccc(Cl)nc1)C1=C(F)C(=O)OC1
InChIInChI=1S/C11H10ClFN2O2/c1-15(8-6-17-11(16)10(8)13)5-7-2-3-9(12)14-4-7/h2-4H,5-6H2,1H3
InChIKeyDHBIDTXSBVKXEU-UHFFFAOYSA-N
XLogP1.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.66
LogP ≤ 51.90
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

1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 60719313
4-[(6-chloro-3-pyridinyl)methyl-ethylamino]-5H-1,3-oxazol-2-one
CID 87081121
N-[(6-chloro-3-pyridinyl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 28802343
N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine
CID 89003402
N-[(6-chloro-3-pyridinyl)methyl]-N,4,6-trimethylpyrimidin-2-amine
CID 50948120
3-[(6-chloro-3-pyridinyl)methyl-methylamino]-2H-thiophene-5-thione
CID 87207702
3-[(6-chloro-3-pyridinyl)methyl]-4-(2-fluoroethylamino)-2H-furan-5-one
CID 86684856
(6-chloro-3-pyridinyl)methyl-methylcyanamide
CID 119085201
3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol
CID 111543545
3-[(6-chloro-3-pyridinyl)methyl-[[2-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]methyl]amino]-2H-furan-5-one
CID 155301337
(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;3-[(6-chloro-3-pyridinyl)methyl-methylamino]-2H-furan-5-one
CID 135765294

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-3-pyridinyl)methyl-methylamino]-4-fluoro-2H-furan-5-one?
The IUPAC name of 3-[(6-chloro-3-pyridinyl)methyl-methylamino]-4-fluoro-2H-furan-5-one (CID 59843566) is 3-[(6-chloro-3-pyridinyl)methyl-methylamino]-4-fluoro-2H-furan-5-one.
What is the SMILES notation for 3-[(6-chloro-3-pyridinyl)methyl-methylamino]-4-fluoro-2H-furan-5-one?
The canonical SMILES for 3-[(6-chloro-3-pyridinyl)methyl-methylamino]-4-fluoro-2H-furan-5-one is CN(Cc1ccc(Cl)nc1)C1=C(F)C(=O)OC1.
What is the InChIKey of 3-[(6-chloro-3-pyridinyl)methyl-methylamino]-4-fluoro-2H-furan-5-one?
The InChIKey is DHBIDTXSBVKXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O2/c1-15(8-6-17-11(16)10(8)13)5-7-2-3-9(12)14-4-7/h2-4H,5-6H2,1H3.
What are the key properties of 3-[(6-chloro-3-pyridinyl)methyl-methylamino]-4-fluoro-2H-furan-5-one?
3-[(6-chloro-3-pyridinyl)methyl-methylamino]-4-fluoro-2H-furan-5-one has a molecular weight of 256.66 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-3-pyridinyl)methyl-methylamino]-4-fluoro-2H-furan-5-one is sourced from PubChem (CID 59843566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).