N-[(3-bromofuran-2-yl)methyl]-6-fluoropyridin-3-amine

C10H8BrFN2O — CID 103946824

IUPACN-[(3-bromofuran-2-yl)methyl]-6-fluoropyridin-3-amine
SMILESFc1ccc(NCc2occc2Br)cn1
InChIInChI=1S/C10H8BrFN2O/c11-8-3-4-15-9(8)6-13-7-1-2-10(12)14-5-7/h1-5,13H,6H2
InChIKeyPOFDUTKNHXEDRW-UHFFFAOYSA-N
MW271.09 g/mol
LogP3.19
Rot. Bonds3

About N-[(3-bromofuran-2-yl)methyl]-6-fluoropyridin-3-amine

N-[(3-bromofuran-2-yl)methyl]-6-fluoropyridin-3-amine (PubChem CID 103946824) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)methyl]-6-fluoropyridin-3-amine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)methyl]-6-fluoropyridin-3-amine
PubChem CID103946824
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC NameN-[(3-bromofuran-2-yl)methyl]-6-fluoropyridin-3-amine
SMILESFc1ccc(NCc2occc2Br)cn1
InChIInChI=1S/C10H8BrFN2O/c11-8-3-4-15-9(8)6-13-7-1-2-10(12)14-5-7/h1-5,13H,6H2
InChIKeyPOFDUTKNHXEDRW-UHFFFAOYSA-N
XLogP3.19
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-bromofuran-2-yl)methyl]-6-fluoropyridin-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

Related Compounds

6-fluoro-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine
CID 115749492
4-[(3-bromofuran-2-yl)methylamino]phenol
CID 102809769
N-[(3-bromofuran-2-yl)methyl]-4-methylsulfanylaniline
CID 103817834
N-[(3-bromofuran-2-yl)methyl]-4-chloro-3-fluoroaniline
CID 106885213
N-[(3-bromofuran-2-yl)methyl]-4-ethoxy-3-fluoroaniline
CID 113268194
2-[4-[(3-bromofuran-2-yl)methylamino]phenyl]ethanol
CID 113253732
N-[(3-bromofuran-2-yl)methyl]-3-ethoxyaniline
CID 103817901
4-[(3-bromofuran-2-yl)methylamino]-2-methylphenol
CID 106885444
N-[(3-bromo-4-methylphenyl)methyl]-6-fluoropyridin-3-amine
CID 103934256
2-bromo-6-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol
CID 103934212
N-[(3-bromofuran-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 106885045
N-[(3-bromofuran-2-yl)methyl]-1,3-thiazol-2-amine
CID 106885398

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)methyl]-6-fluoropyridin-3-amine?
The IUPAC name of N-[(3-bromofuran-2-yl)methyl]-6-fluoropyridin-3-amine (CID 103946824) is N-[(3-bromofuran-2-yl)methyl]-6-fluoropyridin-3-amine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)methyl]-6-fluoropyridin-3-amine?
The canonical SMILES for N-[(3-bromofuran-2-yl)methyl]-6-fluoropyridin-3-amine is Fc1ccc(NCc2occc2Br)cn1.
What is the InChIKey of N-[(3-bromofuran-2-yl)methyl]-6-fluoropyridin-3-amine?
The InChIKey is POFDUTKNHXEDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c11-8-3-4-15-9(8)6-13-7-1-2-10(12)14-5-7/h1-5,13H,6H2.
What are the key properties of N-[(3-bromofuran-2-yl)methyl]-6-fluoropyridin-3-amine?
N-[(3-bromofuran-2-yl)methyl]-6-fluoropyridin-3-amine has a molecular weight of 271.09 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)methyl]-6-fluoropyridin-3-amine is sourced from PubChem (CID 103946824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).