1-fluoro-2-methyl-2H-pyridine

C6H8FN — CID 90332487

IUPAC1-fluoro-2-methyl-2H-pyridine
SMILESCC1C=CC=CN1F
InChIInChI=1S/C6H8FN/c1-6-4-2-3-5-8(6)7/h2-6H,1H3
InChIKeyBSUJPZLVPNEWAN-UHFFFAOYSA-N
MW113.13 g/mol
LogP1.64
Rot. Bonds

About 1-fluoro-2-methyl-2H-pyridine

1-fluoro-2-methyl-2H-pyridine (PubChem CID 90332487) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 1-fluoro-2-methyl-2H-pyridine.

Molecular Properties

Compound Name1-fluoro-2-methyl-2H-pyridine
PubChem CID90332487
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name1-fluoro-2-methyl-2H-pyridine
SMILESCC1C=CC=CN1F
InChIInChI=1S/C6H8FN/c1-6-4-2-3-5-8(6)7/h2-6H,1H3
InChIKeyBSUJPZLVPNEWAN-UHFFFAOYSA-N
XLogP1.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-2H-pyridine?
The IUPAC name of 1-fluoro-2-methyl-2H-pyridine (CID 90332487) is 1-fluoro-2-methyl-2H-pyridine.
What is the SMILES notation for 1-fluoro-2-methyl-2H-pyridine?
The canonical SMILES for 1-fluoro-2-methyl-2H-pyridine is CC1C=CC=CN1F.
What is the InChIKey of 1-fluoro-2-methyl-2H-pyridine?
The InChIKey is BSUJPZLVPNEWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN/c1-6-4-2-3-5-8(6)7/h2-6H,1H3.
What are the key properties of 1-fluoro-2-methyl-2H-pyridine?
1-fluoro-2-methyl-2H-pyridine has a molecular weight of 113.13 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-2H-pyridine is sourced from PubChem (CID 90332487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).