6-fluoro-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine

C11H11FN2O — CID 115749492

IUPAC6-fluoro-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine
SMILESCc1ccoc1CNc1ccc(F)nc1
InChIInChI=1S/C11H11FN2O/c1-8-4-5-15-10(8)7-13-9-2-3-11(12)14-6-9/h2-6,13H,7H2,1H3
InChIKeyAJBZTWFTEAWPBJ-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.73
Rot. Bonds3

About 6-fluoro-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine

6-fluoro-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine (PubChem CID 115749492) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 6-fluoro-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-fluoro-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine
PubChem CID115749492
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name6-fluoro-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine
SMILESCc1ccoc1CNc1ccc(F)nc1
InChIInChI=1S/C11H11FN2O/c1-8-4-5-15-10(8)7-13-9-2-3-11(12)14-6-9/h2-6,13H,7H2,1H3
InChIKeyAJBZTWFTEAWPBJ-UHFFFAOYSA-N
XLogP2.73
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-fluoro-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine (CID 115749492) is 6-fluoro-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-fluoro-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-fluoro-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine is Cc1ccoc1CNc1ccc(F)nc1.
What is the InChIKey of 6-fluoro-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine?
The InChIKey is AJBZTWFTEAWPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-8-4-5-15-10(8)7-13-9-2-3-11(12)14-6-9/h2-6,13H,7H2,1H3.
What are the key properties of 6-fluoro-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine?
6-fluoro-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine has a molecular weight of 206.22 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 115749492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).