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

C13H12ClFN2O — CID 87616050

IUPACN-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-cyclopropylfuran-3-amine
SMILESFc1cc(CN(c2ccoc2)C2CC2)cnc1Cl
InChIInChI=1S/C13H12ClFN2O/c14-13-12(15)5-9(6-16-13)7-17(10-1-2-10)11-3-4-18-8-11/h3-6,8,10H,1-2,7H2
InChIKeyHOTYDRXPPFEKRK-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.64
Rot. Bonds4

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

N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-cyclopropylfuran-3-amine (PubChem CID 87616050) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-cyclopropylfuran-3-amine.

Molecular Properties

Compound NameN-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-cyclopropylfuran-3-amine
PubChem CID87616050
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC NameN-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-cyclopropylfuran-3-amine
SMILESFc1cc(CN(c2ccoc2)C2CC2)cnc1Cl
InChIInChI=1S/C13H12ClFN2O/c14-13-12(15)5-9(6-16-13)7-17(10-1-2-10)11-3-4-18-8-11/h3-6,8,10H,1-2,7H2
InChIKeyHOTYDRXPPFEKRK-UHFFFAOYSA-N
XLogP3.64
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.64
H-Bond Donors ≤ 50
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 N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-cyclopropylfuran-3-amine?
The IUPAC name of N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-cyclopropylfuran-3-amine (CID 87616050) is N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-cyclopropylfuran-3-amine.
What is the SMILES notation for N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-cyclopropylfuran-3-amine?
The canonical SMILES for N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-cyclopropylfuran-3-amine is Fc1cc(CN(c2ccoc2)C2CC2)cnc1Cl.
What is the InChIKey of N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-cyclopropylfuran-3-amine?
The InChIKey is HOTYDRXPPFEKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c14-13-12(15)5-9(6-16-13)7-17(10-1-2-10)11-3-4-18-8-11/h3-6,8,10H,1-2,7H2.
What are the key properties of N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-cyclopropylfuran-3-amine?
N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-cyclopropylfuran-3-amine has a molecular weight of 266.70 g/mol, XLogP of 3.64, 4 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-cyclopropylfuran-3-amine is sourced from PubChem (CID 87616050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).