4-chloro-3-fluoro-3H-pyridin-4-amine

C5H6ClFN2 — CID 68520456

IUPAC4-chloro-3-fluoro-3H-pyridin-4-amine
SMILESNC1(Cl)C=CN=CC1F
InChIInChI=1S/C5H6ClFN2/c6-5(8)1-2-9-3-4(5)7/h1-4H,8H2
InChIKeyLVVNTSSIWQRBGL-UHFFFAOYSA-N
MW148.57 g/mol
LogP0.82
Rot. Bonds

About 4-chloro-3-fluoro-3H-pyridin-4-amine

4-chloro-3-fluoro-3H-pyridin-4-amine (PubChem CID 68520456) has the molecular formula C5H6ClFN2 and a molecular weight of 148.57 g/mol. Its IUPAC name is 4-chloro-3-fluoro-3H-pyridin-4-amine.

Molecular Properties

Compound Name4-chloro-3-fluoro-3H-pyridin-4-amine
PubChem CID68520456
Molecular FormulaC5H6ClFN2
Molecular Weight148.57 g/mol
Exact Mass148.02
IUPAC Name4-chloro-3-fluoro-3H-pyridin-4-amine
SMILESNC1(Cl)C=CN=CC1F
InChIInChI=1S/C5H6ClFN2/c6-5(8)1-2-9-3-4(5)7/h1-4H,8H2
InChIKeyLVVNTSSIWQRBGL-UHFFFAOYSA-N
XLogP0.82
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.57
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 4-chloro-3-fluoro-3H-pyridin-4-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 4-chloro-3-fluoro-3H-pyridin-4-amine?
The IUPAC name of 4-chloro-3-fluoro-3H-pyridin-4-amine (CID 68520456) is 4-chloro-3-fluoro-3H-pyridin-4-amine.
What is the SMILES notation for 4-chloro-3-fluoro-3H-pyridin-4-amine?
The canonical SMILES for 4-chloro-3-fluoro-3H-pyridin-4-amine is NC1(Cl)C=CN=CC1F.
What is the InChIKey of 4-chloro-3-fluoro-3H-pyridin-4-amine?
The InChIKey is LVVNTSSIWQRBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClFN2/c6-5(8)1-2-9-3-4(5)7/h1-4H,8H2.
What are the key properties of 4-chloro-3-fluoro-3H-pyridin-4-amine?
4-chloro-3-fluoro-3H-pyridin-4-amine has a molecular weight of 148.57 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-3H-pyridin-4-amine is sourced from PubChem (CID 68520456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).