1-fluoro-4,5,6-trimethyl-2H-pyridine

C8H12FN — CID 87450917

IUPAC1-fluoro-4,5,6-trimethyl-2H-pyridine
SMILESCC1=CCN(C(=C1C)C)F
InChIInChI=1S/C8H12FN/c1-6-4-5-10(9)8(3)7(6)2/h4H,5H2,1-3H3
InChIKeyCXLCMMLNVMQWGY-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.90
Rot. Bonds

About 1-fluoro-4,5,6-trimethyl-2H-pyridine

1-fluoro-4,5,6-trimethyl-2H-pyridine (PubChem CID 87450917) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 1-fluoro-4,5,6-trimethyl-2H-pyridine.

Molecular Properties

Compound Name1-fluoro-4,5,6-trimethyl-2H-pyridine
PubChem CID87450917
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name1-fluoro-4,5,6-trimethyl-2H-pyridine
SMILESCC1=CCN(C(=C1C)C)F
InChIInChI=1S/C8H12FN/c1-6-4-5-10(9)8(3)7(6)2/h4H,5H2,1-3H3
InChIKeyCXLCMMLNVMQWGY-UHFFFAOYSA-N
XLogP1.90
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity203

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-2,4,6-trimethyl-2H-pyridine
CID 87450919
1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123633847
N-fluoro-N,2,4-trimethylpenta-1,3-dien-3-amine
CID 139341424
1-fluoro-1,4,6-trimethyl-2H-pyridin-1-ium
CID 141175474
2-Ethenylidene-1-fluoro-5-methylpyridine
CID 143722932
1,6-dimethyl-5-(trifluoromethyl)-2H-pyridine
CID 145272392
3-ethyl-4-fluoro-1,6-dimethyl-2H-pyridine
CID 146669125
1,5,6-tris(fluoromethyl)-2H-pyridine
CID 150429060
2-fluoro-1,4,6-trimethyl-2H-pyridine
CID 150620231
1-fluoro-4,6-dimethyl-2H-pyridine
CID 152148323
1-(difluoromethyl)-4,6-dimethyl-2H-pyridine
CID 153556906
(3E,4E)-N-fluoro-N,5-dimethyl-3-propylidenehepta-1,4-dien-2-amine
CID 155001788

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4,5,6-trimethyl-2H-pyridine?
The IUPAC name of 1-fluoro-4,5,6-trimethyl-2H-pyridine (CID 87450917) is 1-fluoro-4,5,6-trimethyl-2H-pyridine.
What is the SMILES notation for 1-fluoro-4,5,6-trimethyl-2H-pyridine?
The canonical SMILES for 1-fluoro-4,5,6-trimethyl-2H-pyridine is CC1=CCN(C(=C1C)C)F.
What is the InChIKey of 1-fluoro-4,5,6-trimethyl-2H-pyridine?
The InChIKey is CXLCMMLNVMQWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-6-4-5-10(9)8(3)7(6)2/h4H,5H2,1-3H3.
What are the key properties of 1-fluoro-4,5,6-trimethyl-2H-pyridine?
1-fluoro-4,5,6-trimethyl-2H-pyridine has a molecular weight of 141.19 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4,5,6-trimethyl-2H-pyridine is sourced from PubChem (CID 87450917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).