N-[(6-chloro-3-pyridinyl)methyl]-2,2-difluoroethanamine

C8H9ClF2N2 — CID 44604123

IUPACN-[(6-chloro-3-pyridinyl)methyl]-2,2-difluoroethanamine
SMILESFC(F)CNCc1ccc(Cl)nc1
InChIInChI=1S/C8H9ClF2N2/c9-7-2-1-6(4-13-7)3-12-5-8(10)11/h1-2,4,8,12H,3,5H2
InChIKeyQDQGMLOVCICKPV-UHFFFAOYSA-N
MW206.62 g/mol
LogP2.09
Rot. Bonds4

About N-[(6-chloro-3-pyridinyl)methyl]-2,2-difluoroethanamine

N-[(6-chloro-3-pyridinyl)methyl]-2,2-difluoroethanamine (PubChem CID 44604123) has the molecular formula C8H9ClF2N2 and a molecular weight of 206.62 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-2,2-difluoroethanamine
PubChem CID44604123
Molecular FormulaC8H9ClF2N2
Molecular Weight206.62 g/mol
Exact Mass206.04
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-2,2-difluoroethanamine
SMILESFC(F)CNCc1ccc(Cl)nc1
InChIInChI=1S/C8H9ClF2N2/c9-7-2-1-6(4-13-7)3-12-5-8(10)11/h1-2,4,8,12H,3,5H2
InChIKeyQDQGMLOVCICKPV-UHFFFAOYSA-N
XLogP2.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.62
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(6-chloro-3-pyridinyl)methyl]-2,2-difluoroethanamine 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-3-pyridinyl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-2,2-difluoroethanamine (CID 44604123) is N-[(6-chloro-3-pyridinyl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-2,2-difluoroethanamine is FC(F)CNCc1ccc(Cl)nc1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-2,2-difluoroethanamine?
The InChIKey is QDQGMLOVCICKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2/c9-7-2-1-6(4-13-7)3-12-5-8(10)11/h1-2,4,8,12H,3,5H2.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-2,2-difluoroethanamine?
N-[(6-chloro-3-pyridinyl)methyl]-2,2-difluoroethanamine has a molecular weight of 206.62 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 44604123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).