2,2-difluoro-1-methylpyridine

C6H7F2N — CID 174972839

IUPAC2,2-difluoro-1-methylpyridine
SMILESCN1C=CC=CC1(F)F
InChIInChI=1S/C6H7F2N/c1-9-5-3-2-4-6(9,7)8/h2-5H,1H3
InChIKeyBCVXNZYXBSQKFK-UHFFFAOYSA-N
MW131.12 g/mol
LogP1.59
Rot. Bonds

About 2,2-difluoro-1-methylpyridine

2,2-difluoro-1-methylpyridine (PubChem CID 174972839) has the molecular formula C6H7F2N and a molecular weight of 131.12 g/mol. Its IUPAC name is 2,2-difluoro-1-methylpyridine.

Molecular Properties

Compound Name2,2-difluoro-1-methylpyridine
PubChem CID174972839
Molecular FormulaC6H7F2N
Molecular Weight131.12 g/mol
Exact Mass131.05
IUPAC Name2,2-difluoro-1-methylpyridine
SMILESCN1C=CC=CC1(F)F
InChIInChI=1S/C6H7F2N/c1-9-5-3-2-4-6(9,7)8/h2-5H,1H3
InChIKeyBCVXNZYXBSQKFK-UHFFFAOYSA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.12
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-methylpyridine?
The IUPAC name of 2,2-difluoro-1-methylpyridine (CID 174972839) is 2,2-difluoro-1-methylpyridine.
What is the SMILES notation for 2,2-difluoro-1-methylpyridine?
The canonical SMILES for 2,2-difluoro-1-methylpyridine is CN1C=CC=CC1(F)F.
What is the InChIKey of 2,2-difluoro-1-methylpyridine?
The InChIKey is BCVXNZYXBSQKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N/c1-9-5-3-2-4-6(9,7)8/h2-5H,1H3.
What are the key properties of 2,2-difluoro-1-methylpyridine?
2,2-difluoro-1-methylpyridine has a molecular weight of 131.12 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-methylpyridine is sourced from PubChem (CID 174972839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).