5-tert-butyl-6-fluoro-1-methyl-2H-pyridine

C10H16FN — CID 91405121

IUPAC5-tert-butyl-6-fluoro-1-methyl-2H-pyridine
SMILESCN1CC=CC(C(C)(C)C)=C1F
InChIInChI=1S/C10H16FN/c1-10(2,3)8-6-5-7-12(4)9(8)11/h5-6H,7H2,1-4H3
InChIKeyXIEUINNYODHMRQ-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.72
Rot. Bonds

About 5-tert-butyl-6-fluoro-1-methyl-2H-pyridine

5-tert-butyl-6-fluoro-1-methyl-2H-pyridine (PubChem CID 91405121) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 5-tert-butyl-6-fluoro-1-methyl-2H-pyridine.

Molecular Properties

Compound Name5-tert-butyl-6-fluoro-1-methyl-2H-pyridine
PubChem CID91405121
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name5-tert-butyl-6-fluoro-1-methyl-2H-pyridine
SMILESCN1CC=CC(C(C)(C)C)=C1F
InChIInChI=1S/C10H16FN/c1-10(2,3)8-6-5-7-12(4)9(8)11/h5-6H,7H2,1-4H3
InChIKeyXIEUINNYODHMRQ-UHFFFAOYSA-N
XLogP2.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.72
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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Related Compounds

1,4-Di-t-butylpyridine
CID 66942442
5-Tert-butyl-1-(difluoromethyl)-2-methylidenepyridine
CID 117878183
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CID 126590863
(2Z,5Z)-5-[(Z)-but-1-enyl]-8-fluoro-N,N,8-trimethylnona-2,5-dien-1-amine
CID 132151936
5-Tert-butyl-1-(1-fluoroethyl)-2-methylidenepyridine
CID 134559782
(2E,5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-2,5,7-trien-1-amine
CID 143782117
5-tert-butyl-3-fluoro-1-[(3Z)-hexa-3,5-dien-2-yl]azepine
CID 144376168
(1S)-6-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 155197945
(1E,3Z)-1-fluoro-N,4,6,6-tetramethyl-N-propylhepta-1,3-dien-1-amine
CID 156423100
(2Z,4E)-N-ethenyl-4-(2-fluoropropan-2-yl)-N-methylhexa-2,4-dien-1-amine
CID 166651513
2-tert-butyl-5-fluoro-1,3-dimethyl-2H-pyridine
CID 167149960
4-fluoro-N-methyl-N-[(E)-2-methylbut-1-enyl]cyclohexa-2,4-dien-1-amine
CID 170056320

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-fluoro-1-methyl-2H-pyridine?
The IUPAC name of 5-tert-butyl-6-fluoro-1-methyl-2H-pyridine (CID 91405121) is 5-tert-butyl-6-fluoro-1-methyl-2H-pyridine.
What is the SMILES notation for 5-tert-butyl-6-fluoro-1-methyl-2H-pyridine?
The canonical SMILES for 5-tert-butyl-6-fluoro-1-methyl-2H-pyridine is CN1CC=CC(C(C)(C)C)=C1F.
What is the InChIKey of 5-tert-butyl-6-fluoro-1-methyl-2H-pyridine?
The InChIKey is XIEUINNYODHMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-10(2,3)8-6-5-7-12(4)9(8)11/h5-6H,7H2,1-4H3.
What are the key properties of 5-tert-butyl-6-fluoro-1-methyl-2H-pyridine?
5-tert-butyl-6-fluoro-1-methyl-2H-pyridine has a molecular weight of 169.24 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-fluoro-1-methyl-2H-pyridine is sourced from PubChem (CID 91405121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).