2-chloro-6-(fluoromethyl)-4-methylpyridine

C7H7ClFN — CID 10261366

IUPAC2-chloro-6-(fluoromethyl)-4-methylpyridine
SMILESCc1cc(Cl)nc(CF)c1
InChIInChI=1S/C7H7ClFN/c1-5-2-6(4-9)10-7(8)3-5/h2-3H,4H2,1H3
InChIKeyNIWQWYWYBIMVLJ-UHFFFAOYSA-N
MW159.59 g/mol
LogP2.51
Rot. Bonds1

About 2-chloro-6-(fluoromethyl)-4-methylpyridine

2-chloro-6-(fluoromethyl)-4-methylpyridine (PubChem CID 10261366) has the molecular formula C7H7ClFN and a molecular weight of 159.59 g/mol. Its IUPAC name is 2-chloro-6-(fluoromethyl)-4-methylpyridine.

Molecular Properties

Compound Name2-chloro-6-(fluoromethyl)-4-methylpyridine
PubChem CID10261366
Molecular FormulaC7H7ClFN
Molecular Weight159.59 g/mol
Exact Mass159.03
IUPAC Name2-chloro-6-(fluoromethyl)-4-methylpyridine
SMILESCc1cc(Cl)nc(CF)c1
InChIInChI=1S/C7H7ClFN/c1-5-2-6(4-9)10-7(8)3-5/h2-3H,4H2,1H3
InChIKeyNIWQWYWYBIMVLJ-UHFFFAOYSA-N
XLogP2.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.59
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(fluoromethyl)-4-methylpyridine?
The IUPAC name of 2-chloro-6-(fluoromethyl)-4-methylpyridine (CID 10261366) is 2-chloro-6-(fluoromethyl)-4-methylpyridine.
What is the SMILES notation for 2-chloro-6-(fluoromethyl)-4-methylpyridine?
The canonical SMILES for 2-chloro-6-(fluoromethyl)-4-methylpyridine is Cc1cc(Cl)nc(CF)c1.
What is the InChIKey of 2-chloro-6-(fluoromethyl)-4-methylpyridine?
The InChIKey is NIWQWYWYBIMVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFN/c1-5-2-6(4-9)10-7(8)3-5/h2-3H,4H2,1H3.
What are the key properties of 2-chloro-6-(fluoromethyl)-4-methylpyridine?
2-chloro-6-(fluoromethyl)-4-methylpyridine has a molecular weight of 159.59 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(fluoromethyl)-4-methylpyridine is sourced from PubChem (CID 10261366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).