methyl 5-[[(6-fluoro-2-pyridinyl)amino]methyl]furan-2-carboxylate

C12H11FN2O3 — CID 115628469

IUPACmethyl 5-[[(6-fluoro-2-pyridinyl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNc2cccc(F)n2)o1
InChIInChI=1S/C12H11FN2O3/c1-17-12(16)9-6-5-8(18-9)7-14-11-4-2-3-10(13)15-11/h2-6H,7H2,1H3,(H,14,15)
InChIKeyFJJJRUHMEFHXTK-UHFFFAOYSA-N
MW250.23 g/mol
LogP2.21
Rot. Bonds4

About methyl 5-[[(6-fluoro-2-pyridinyl)amino]methyl]furan-2-carboxylate

methyl 5-[[(6-fluoro-2-pyridinyl)amino]methyl]furan-2-carboxylate (PubChem CID 115628469) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is methyl 5-[[(6-fluoro-2-pyridinyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(6-fluoro-2-pyridinyl)amino]methyl]furan-2-carboxylate
PubChem CID115628469
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Namemethyl 5-[[(6-fluoro-2-pyridinyl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNc2cccc(F)n2)o1
InChIInChI=1S/C12H11FN2O3/c1-17-12(16)9-6-5-8(18-9)7-14-11-4-2-3-10(13)15-11/h2-6H,7H2,1H3,(H,14,15)
InChIKeyFJJJRUHMEFHXTK-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

methyl 2-[(6-fluoro-2-pyridinyl)amino]acetate
CID 54594897
methyl 5-[(2,6-dibromoanilino)methyl]furan-2-carboxylate
CID 107597258
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
methyl 5-[(3,5-dichloro-4-fluoroanilino)methyl]furan-2-carboxylate
CID 107572628
methyl 5-[[2-(methoxymethyl)anilino]methyl]furan-2-carboxylate
CID 43779846
methyl 5-[(4-fluoro-3-methylanilino)methyl]furan-2-carboxylate
CID 62810209
methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate
CID 43219084
bis[(5-methoxycarbonylfuran-2-yl)methyl] pyridine-2,6-dicarboxylate
CID 2627632
methyl 5-[(pyridin-2-ylmethylamino)methyl]furan-2-carboxylate
CID 43219093
methyl 5-[(2-propan-2-ylanilino)methyl]furan-2-carboxylate
CID 43229669
methyl 5-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]furan-2-carboxylate
CID 133387998
methyl 5-[[3-(methylcarbamoyl)anilino]methyl]furan-2-carboxylate
CID 43222502

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(6-fluoro-2-pyridinyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(6-fluoro-2-pyridinyl)amino]methyl]furan-2-carboxylate (CID 115628469) is methyl 5-[[(6-fluoro-2-pyridinyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(6-fluoro-2-pyridinyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(6-fluoro-2-pyridinyl)amino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CNc2cccc(F)n2)o1.
What is the InChIKey of methyl 5-[[(6-fluoro-2-pyridinyl)amino]methyl]furan-2-carboxylate?
The InChIKey is FJJJRUHMEFHXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-17-12(16)9-6-5-8(18-9)7-14-11-4-2-3-10(13)15-11/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of methyl 5-[[(6-fluoro-2-pyridinyl)amino]methyl]furan-2-carboxylate?
methyl 5-[[(6-fluoro-2-pyridinyl)amino]methyl]furan-2-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-2-pyridinyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 115628469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).