2-fluoro-2,3-dimethyl-1H-pyridine

C7H10FN — CID 22615259

IUPAC2-fluoro-2,3-dimethyl-1H-pyridine
SMILESCC1=CC=CNC1(C)F
InChIInChI=1S/C7H10FN/c1-6-4-3-5-9-7(6,2)8/h3-5,9H,1-2H3
InChIKeyZQECOUVWGFUSQH-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.70
Rot. Bonds

About 2-fluoro-2,3-dimethyl-1H-pyridine

2-fluoro-2,3-dimethyl-1H-pyridine (PubChem CID 22615259) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 2-fluoro-2,3-dimethyl-1H-pyridine.

Molecular Properties

Compound Name2-fluoro-2,3-dimethyl-1H-pyridine
PubChem CID22615259
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name2-fluoro-2,3-dimethyl-1H-pyridine
SMILESCC1=CC=CNC1(C)F
InChIInChI=1S/C7H10FN/c1-6-4-3-5-9-7(6,2)8/h3-5,9H,1-2H3
InChIKeyZQECOUVWGFUSQH-UHFFFAOYSA-N
XLogP1.70
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity172

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-Methyl-2-vinylpyridine
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Cyclohepta[1,2-b]pyridine
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2-Bromo-4-methylpicoline
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2-fluoro-4-iodo-2-methyl-1H-pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,3-dimethyl-1H-pyridine?
The IUPAC name of 2-fluoro-2,3-dimethyl-1H-pyridine (CID 22615259) is 2-fluoro-2,3-dimethyl-1H-pyridine.
What is the SMILES notation for 2-fluoro-2,3-dimethyl-1H-pyridine?
The canonical SMILES for 2-fluoro-2,3-dimethyl-1H-pyridine is CC1=CC=CNC1(C)F.
What is the InChIKey of 2-fluoro-2,3-dimethyl-1H-pyridine?
The InChIKey is ZQECOUVWGFUSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-6-4-3-5-9-7(6,2)8/h3-5,9H,1-2H3.
What are the key properties of 2-fluoro-2,3-dimethyl-1H-pyridine?
2-fluoro-2,3-dimethyl-1H-pyridine has a molecular weight of 127.16 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,3-dimethyl-1H-pyridine is sourced from PubChem (CID 22615259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).