2-chloro-5-fluoro-1,2-dimethylpyridine

C7H9ClFN — CID 118478768

IUPAC2-chloro-5-fluoro-1,2-dimethylpyridine
SMILESCN1C=C(F)C=CC1(C)Cl
InChIInChI=1S/C7H9ClFN/c1-7(8)4-3-6(9)5-10(7)2/h3-5H,1-2H3
InChIKeyKPFBCYSUBBMKFG-UHFFFAOYSA-N
MW161.61 g/mol
LogP2.25
Rot. Bonds

About 2-chloro-5-fluoro-1,2-dimethylpyridine

2-chloro-5-fluoro-1,2-dimethylpyridine (PubChem CID 118478768) has the molecular formula C7H9ClFN and a molecular weight of 161.61 g/mol. Its IUPAC name is 2-chloro-5-fluoro-1,2-dimethylpyridine.

Molecular Properties

Compound Name2-chloro-5-fluoro-1,2-dimethylpyridine
PubChem CID118478768
Molecular FormulaC7H9ClFN
Molecular Weight161.61 g/mol
Exact Mass161.04
IUPAC Name2-chloro-5-fluoro-1,2-dimethylpyridine
SMILESCN1C=C(F)C=CC1(C)Cl
InChIInChI=1S/C7H9ClFN/c1-7(8)4-3-6(9)5-10(7)2/h3-5H,1-2H3
InChIKeyKPFBCYSUBBMKFG-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.61
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-1,2-dimethylpyridine?
The IUPAC name of 2-chloro-5-fluoro-1,2-dimethylpyridine (CID 118478768) is 2-chloro-5-fluoro-1,2-dimethylpyridine.
What is the SMILES notation for 2-chloro-5-fluoro-1,2-dimethylpyridine?
The canonical SMILES for 2-chloro-5-fluoro-1,2-dimethylpyridine is CN1C=C(F)C=CC1(C)Cl.
What is the InChIKey of 2-chloro-5-fluoro-1,2-dimethylpyridine?
The InChIKey is KPFBCYSUBBMKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClFN/c1-7(8)4-3-6(9)5-10(7)2/h3-5H,1-2H3.
What are the key properties of 2-chloro-5-fluoro-1,2-dimethylpyridine?
2-chloro-5-fluoro-1,2-dimethylpyridine has a molecular weight of 161.61 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-1,2-dimethylpyridine is sourced from PubChem (CID 118478768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).