methyl 5-[[(6-fluoro-3-pyridinyl)amino]methyl]furan-3-carboxylate

C12H11FN2O3 — CID 104586718

IUPACmethyl 5-[[(6-fluoro-3-pyridinyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNc2ccc(F)nc2)c1
InChIInChI=1S/C12H11FN2O3/c1-17-12(16)8-4-10(18-7-8)6-14-9-2-3-11(13)15-5-9/h2-5,7,14H,6H2,1H3
InChIKeyKDXVJBVSTSSUIZ-UHFFFAOYSA-N
MW250.23 g/mol
LogP2.21
Rot. Bonds4

About methyl 5-[[(6-fluoro-3-pyridinyl)amino]methyl]furan-3-carboxylate

methyl 5-[[(6-fluoro-3-pyridinyl)amino]methyl]furan-3-carboxylate (PubChem CID 104586718) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is methyl 5-[[(6-fluoro-3-pyridinyl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(6-fluoro-3-pyridinyl)amino]methyl]furan-3-carboxylate
PubChem CID104586718
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Namemethyl 5-[[(6-fluoro-3-pyridinyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNc2ccc(F)nc2)c1
InChIInChI=1S/C12H11FN2O3/c1-17-12(16)8-4-10(18-7-8)6-14-9-2-3-11(13)15-5-9/h2-5,7,14H,6H2,1H3
InChIKeyKDXVJBVSTSSUIZ-UHFFFAOYSA-N
XLogP2.21
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-methoxycarbonylfuran-2-yl)methylamino]benzoic acid
CID 104608179
methyl 5-[(3,4-dicyanoanilino)methyl]furan-3-carboxylate
CID 107788621
methyl 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylate
CID 104607981
methyl 5-[(2-fluoroanilino)methyl]furan-3-carboxylate
CID 104585655
methyl 5-[(3-chloro-4-methoxyanilino)methyl]furan-3-carboxylate
CID 104585623
methyl 5-[(2-chloro-4-fluoroanilino)methyl]furan-3-carboxylate
CID 104608171
methyl 5-[(4-chloro-3-methoxyanilino)methyl]furan-3-carboxylate
CID 107272142
methyl 5-[(3-fluoro-2-methylanilino)methyl]furan-3-carboxylate
CID 104585702
methyl 5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-3-carboxylate
CID 107644134
methyl 5-[(1-benzothiophen-5-ylamino)methyl]furan-3-carboxylate
CID 104586668
methyl 5-[(3-chloro-4-cyanoanilino)methyl]furan-3-carboxylate
CID 104608199
methyl 5-[(2-fluoro-5-methoxyanilino)methyl]furan-3-carboxylate
CID 104585663

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(6-fluoro-3-pyridinyl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[(6-fluoro-3-pyridinyl)amino]methyl]furan-3-carboxylate (CID 104586718) is methyl 5-[[(6-fluoro-3-pyridinyl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[(6-fluoro-3-pyridinyl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[(6-fluoro-3-pyridinyl)amino]methyl]furan-3-carboxylate is COC(=O)c1coc(CNc2ccc(F)nc2)c1.
What is the InChIKey of methyl 5-[[(6-fluoro-3-pyridinyl)amino]methyl]furan-3-carboxylate?
The InChIKey is KDXVJBVSTSSUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-17-12(16)8-4-10(18-7-8)6-14-9-2-3-11(13)15-5-9/h2-5,7,14H,6H2,1H3.
What are the key properties of methyl 5-[[(6-fluoro-3-pyridinyl)amino]methyl]furan-3-carboxylate?
methyl 5-[[(6-fluoro-3-pyridinyl)amino]methyl]furan-3-carboxylate has a molecular weight of 250.23 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(6-fluoro-3-pyridinyl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 104586718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).