3,5,6-trichloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine

C12H11Cl3N2O — CID 102750656

IUPAC3,5,6-trichloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine
SMILESCc1ccc(C(C)Nc2nc(Cl)c(Cl)cc2Cl)o1
InChIInChI=1S/C12H11Cl3N2O/c1-6-3-4-10(18-6)7(2)16-12-9(14)5-8(13)11(15)17-12/h3-5,7H,1-2H3,(H,16,17)
InChIKeyLAYUBWYXTRBZGP-UHFFFAOYSA-N
MW305.59 g/mol
LogP5.12
Rot. Bonds3

About 3,5,6-trichloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine

3,5,6-trichloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine (PubChem CID 102750656) has the molecular formula C12H11Cl3N2O and a molecular weight of 305.59 g/mol. Its IUPAC name is 3,5,6-trichloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine
PubChem CID102750656
Molecular FormulaC12H11Cl3N2O
Molecular Weight305.59 g/mol
Exact Mass303.99
IUPAC Name3,5,6-trichloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine
SMILESCc1ccc(C(C)Nc2nc(Cl)c(Cl)cc2Cl)o1
InChIInChI=1S/C12H11Cl3N2O/c1-6-3-4-10(18-6)7(2)16-12-9(14)5-8(13)11(15)17-12/h3-5,7H,1-2H3,(H,16,17)
InChIKeyLAYUBWYXTRBZGP-UHFFFAOYSA-N
XLogP5.12
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.59
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5,6-trichloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-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 3,5,6-trichloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine (CID 102750656) is 3,5,6-trichloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine is Cc1ccc(C(C)Nc2nc(Cl)c(Cl)cc2Cl)o1.
What is the InChIKey of 3,5,6-trichloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine?
The InChIKey is LAYUBWYXTRBZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N2O/c1-6-3-4-10(18-6)7(2)16-12-9(14)5-8(13)11(15)17-12/h3-5,7H,1-2H3,(H,16,17).
What are the key properties of 3,5,6-trichloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine?
3,5,6-trichloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine has a molecular weight of 305.59 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 102750656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).