N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-methylfuran-3-amine

C11H10ClFN2O — CID 141185429

IUPACN-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-methylfuran-3-amine
SMILESCN(Cc1cnc(Cl)c(F)c1)c1ccoc1
InChIInChI=1S/C11H10ClFN2O/c1-15(9-2-3-16-7-9)6-8-4-10(13)11(12)14-5-8/h2-5,7H,6H2,1H3
InChIKeyOTIBXFIAHXYTBK-UHFFFAOYSA-N
MW240.67 g/mol
LogP3.10
Rot. Bonds3

About N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-methylfuran-3-amine

N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-methylfuran-3-amine (PubChem CID 141185429) has the molecular formula C11H10ClFN2O and a molecular weight of 240.67 g/mol. Its IUPAC name is N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-methylfuran-3-amine.

Molecular Properties

Compound NameN-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-methylfuran-3-amine
PubChem CID141185429
Molecular FormulaC11H10ClFN2O
Molecular Weight240.67 g/mol
Exact Mass240.05
IUPAC NameN-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-methylfuran-3-amine
SMILESCN(Cc1cnc(Cl)c(F)c1)c1ccoc1
InChIInChI=1S/C11H10ClFN2O/c1-15(9-2-3-16-7-9)6-8-4-10(13)11(12)14-5-8/h2-5,7H,6H2,1H3
InChIKeyOTIBXFIAHXYTBK-UHFFFAOYSA-N
XLogP3.10
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-methylfuran-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-methylfuran-3-amine?
The IUPAC name of N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-methylfuran-3-amine (CID 141185429) is N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-methylfuran-3-amine.
What is the SMILES notation for N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-methylfuran-3-amine?
The canonical SMILES for N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-methylfuran-3-amine is CN(Cc1cnc(Cl)c(F)c1)c1ccoc1.
What is the InChIKey of N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-methylfuran-3-amine?
The InChIKey is OTIBXFIAHXYTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-15(9-2-3-16-7-9)6-8-4-10(13)11(12)14-5-8/h2-5,7H,6H2,1H3.
What are the key properties of N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-methylfuran-3-amine?
N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-methylfuran-3-amine has a molecular weight of 240.67 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-methylfuran-3-amine is sourced from PubChem (CID 141185429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).