1-fluoro-4-methyl-2H-pyridine

C6H8FN — CID 140982129

IUPAC1-fluoro-4-methyl-2H-pyridine
SMILESCC1=CCN(F)C=C1
InChIInChI=1S/C6H8FN/c1-6-2-4-8(7)5-3-6/h2-4H,5H2,1H3
InChIKeyZVGVEWQEILBRAP-UHFFFAOYSA-N
MW113.13 g/mol
LogP1.65
Rot. Bonds

About 1-fluoro-4-methyl-2H-pyridine

1-fluoro-4-methyl-2H-pyridine (PubChem CID 140982129) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 1-fluoro-4-methyl-2H-pyridine.

Molecular Properties

Compound Name1-fluoro-4-methyl-2H-pyridine
PubChem CID140982129
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name1-fluoro-4-methyl-2H-pyridine
SMILESCC1=CCN(F)C=C1
InChIInChI=1S/C6H8FN/c1-6-2-4-8(7)5-3-6/h2-4H,5H2,1H3
InChIKeyZVGVEWQEILBRAP-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-Dimethyl-1,2-dihydropyridine
CID 13496664
4-vinyl-N-ethylpyridine
CID 22178796
n-Methyl-4-vinylpyridine
CID 22463631
1-fluoro-2-methyl-2H-pyridine
CID 90332487
1-methyl-4-(trifluoromethyl)-2H-pyridine
CID 121391423
(2S)-2-fluoro-1,5-dimethyl-2H-pyridine
CID 139376151
2-Ethenylidene-1-fluoro-5-methylpyridine
CID 143722932
6-fluoro-1,4-dimethyl-2H-pyridine
CID 146384609
5-fluoro-1,4-dimethyl-2H-pyridine
CID 146384632
4-(difluoromethyl)-1-methyl-2H-pyridine
CID 154965375
4-methyl-1-(trifluoromethyl)-2H-pyridine
CID 156101157
1-Fluoro-2-methylidene-4-prop-1-en-2-ylpyridine
CID 163532444

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methyl-2H-pyridine?
The IUPAC name of 1-fluoro-4-methyl-2H-pyridine (CID 140982129) is 1-fluoro-4-methyl-2H-pyridine.
What is the SMILES notation for 1-fluoro-4-methyl-2H-pyridine?
The canonical SMILES for 1-fluoro-4-methyl-2H-pyridine is CC1=CCN(F)C=C1.
What is the InChIKey of 1-fluoro-4-methyl-2H-pyridine?
The InChIKey is ZVGVEWQEILBRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN/c1-6-2-4-8(7)5-3-6/h2-4H,5H2,1H3.
What are the key properties of 1-fluoro-4-methyl-2H-pyridine?
1-fluoro-4-methyl-2H-pyridine has a molecular weight of 113.13 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methyl-2H-pyridine is sourced from PubChem (CID 140982129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).