2-chloro-5-fluoro-2-methyl-1H-pyridine

C6H7ClFN — CID 140555369

IUPAC2-chloro-5-fluoro-2-methyl-1H-pyridine
SMILESCC1(Cl)C=CC(F)=CN1
InChIInChI=1S/C6H7ClFN/c1-6(7)3-2-5(8)4-9-6/h2-4,9H,1H3
InChIKeyUPISBDSHXIPPFD-UHFFFAOYSA-N
MW147.58 g/mol
LogP1.91
Rot. Bonds

About 2-chloro-5-fluoro-2-methyl-1H-pyridine

2-chloro-5-fluoro-2-methyl-1H-pyridine (PubChem CID 140555369) has the molecular formula C6H7ClFN and a molecular weight of 147.58 g/mol. Its IUPAC name is 2-chloro-5-fluoro-2-methyl-1H-pyridine.

Molecular Properties

Compound Name2-chloro-5-fluoro-2-methyl-1H-pyridine
PubChem CID140555369
Molecular FormulaC6H7ClFN
Molecular Weight147.58 g/mol
Exact Mass147.03
IUPAC Name2-chloro-5-fluoro-2-methyl-1H-pyridine
SMILESCC1(Cl)C=CC(F)=CN1
InChIInChI=1S/C6H7ClFN/c1-6(7)3-2-5(8)4-9-6/h2-4,9H,1H3
InChIKeyUPISBDSHXIPPFD-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.58
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-5-fluoro-2-methyl-1H-pyridine 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 2-chloro-5-fluoro-2-methyl-1H-pyridine?
The IUPAC name of 2-chloro-5-fluoro-2-methyl-1H-pyridine (CID 140555369) is 2-chloro-5-fluoro-2-methyl-1H-pyridine.
What is the SMILES notation for 2-chloro-5-fluoro-2-methyl-1H-pyridine?
The canonical SMILES for 2-chloro-5-fluoro-2-methyl-1H-pyridine is CC1(Cl)C=CC(F)=CN1.
What is the InChIKey of 2-chloro-5-fluoro-2-methyl-1H-pyridine?
The InChIKey is UPISBDSHXIPPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClFN/c1-6(7)3-2-5(8)4-9-6/h2-4,9H,1H3.
What are the key properties of 2-chloro-5-fluoro-2-methyl-1H-pyridine?
2-chloro-5-fluoro-2-methyl-1H-pyridine has a molecular weight of 147.58 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-2-methyl-1H-pyridine is sourced from PubChem (CID 140555369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).