N-[(5,6-dichloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine

C12H11Cl2FN2O — CID 87615479

IUPACN-[(5,6-dichloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine
SMILESFCCN(Cc1cnc(Cl)c(Cl)c1)c1ccoc1
InChIInChI=1S/C12H11Cl2FN2O/c13-11-5-9(6-16-12(11)14)7-17(3-2-15)10-1-4-18-8-10/h1,4-6,8H,2-3,7H2
InChIKeyRVEYWIRZYGVKDX-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.96
Rot. Bonds5

About N-[(5,6-dichloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine

N-[(5,6-dichloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine (PubChem CID 87615479) has the molecular formula C12H11Cl2FN2O and a molecular weight of 289.14 g/mol. Its IUPAC name is N-[(5,6-dichloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine.

Molecular Properties

Compound NameN-[(5,6-dichloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine
PubChem CID87615479
Molecular FormulaC12H11Cl2FN2O
Molecular Weight289.14 g/mol
Exact Mass288.02
IUPAC NameN-[(5,6-dichloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine
SMILESFCCN(Cc1cnc(Cl)c(Cl)c1)c1ccoc1
InChIInChI=1S/C12H11Cl2FN2O/c13-11-5-9(6-16-12(11)14)7-17(3-2-15)10-1-4-18-8-10/h1,4-6,8H,2-3,7H2
InChIKeyRVEYWIRZYGVKDX-UHFFFAOYSA-N
XLogP3.96
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.96
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-[(5,6-dichloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine?
The IUPAC name of N-[(5,6-dichloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine (CID 87615479) is N-[(5,6-dichloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine.
What is the SMILES notation for N-[(5,6-dichloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine?
The canonical SMILES for N-[(5,6-dichloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine is FCCN(Cc1cnc(Cl)c(Cl)c1)c1ccoc1.
What is the InChIKey of N-[(5,6-dichloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine?
The InChIKey is RVEYWIRZYGVKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2FN2O/c13-11-5-9(6-16-12(11)14)7-17(3-2-15)10-1-4-18-8-10/h1,4-6,8H,2-3,7H2.
What are the key properties of N-[(5,6-dichloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine?
N-[(5,6-dichloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine has a molecular weight of 289.14 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dichloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine is sourced from PubChem (CID 87615479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).