2-chloro-3-fluoro-5-methyl-2,3-dihydropyridine

C6H7ClFN — CID 89289661

IUPAC2-chloro-3-fluoro-5-methyl-2,3-dihydropyridine
SMILESCC1=CC(F)C(Cl)N=C1
InChIInChI=1S/C6H7ClFN/c1-4-2-5(8)6(7)9-3-4/h2-3,5-6H,1H3
InChIKeyFODZYJOJKPRPRF-UHFFFAOYSA-N
MW147.58 g/mol
LogP1.92
Rot. Bonds

About 2-chloro-3-fluoro-5-methyl-2,3-dihydropyridine

2-chloro-3-fluoro-5-methyl-2,3-dihydropyridine (PubChem CID 89289661) has the molecular formula C6H7ClFN and a molecular weight of 147.58 g/mol. Its IUPAC name is 2-chloro-3-fluoro-5-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name2-chloro-3-fluoro-5-methyl-2,3-dihydropyridine
PubChem CID89289661
Molecular FormulaC6H7ClFN
Molecular Weight147.58 g/mol
Exact Mass147.03
IUPAC Name2-chloro-3-fluoro-5-methyl-2,3-dihydropyridine
SMILESCC1=CC(F)C(Cl)N=C1
InChIInChI=1S/C6H7ClFN/c1-4-2-5(8)6(7)9-3-4/h2-3,5-6H,1H3
InChIKeyFODZYJOJKPRPRF-UHFFFAOYSA-N
XLogP1.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.58
LogP ≤ 51.92
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-3-fluoro-5-methyl-2,3-dihydropyridine?
The IUPAC name of 2-chloro-3-fluoro-5-methyl-2,3-dihydropyridine (CID 89289661) is 2-chloro-3-fluoro-5-methyl-2,3-dihydropyridine.
What is the SMILES notation for 2-chloro-3-fluoro-5-methyl-2,3-dihydropyridine?
The canonical SMILES for 2-chloro-3-fluoro-5-methyl-2,3-dihydropyridine is CC1=CC(F)C(Cl)N=C1.
What is the InChIKey of 2-chloro-3-fluoro-5-methyl-2,3-dihydropyridine?
The InChIKey is FODZYJOJKPRPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClFN/c1-4-2-5(8)6(7)9-3-4/h2-3,5-6H,1H3.
What are the key properties of 2-chloro-3-fluoro-5-methyl-2,3-dihydropyridine?
2-chloro-3-fluoro-5-methyl-2,3-dihydropyridine has a molecular weight of 147.58 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-5-methyl-2,3-dihydropyridine is sourced from PubChem (CID 89289661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).