2,4-ditert-butyl-3-fluoro-6-methoxypyridine

C14H22FNO — CID 177282926

IUPAC2,4-ditert-butyl-3-fluoro-6-methoxypyridine
SMILESCOc1cc(C(C)(C)C)c(F)c(C(C)(C)C)n1
InChIInChI=1S/C14H22FNO/c1-13(2,3)9-8-10(17-7)16-12(11(9)15)14(4,5)6/h8H,1-7H3
InChIKeyNHZITPMBTUXWQD-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.82
Rot. Bonds1

About 2,4-ditert-butyl-3-fluoro-6-methoxypyridine

2,4-ditert-butyl-3-fluoro-6-methoxypyridine (PubChem CID 177282926) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2,4-ditert-butyl-3-fluoro-6-methoxypyridine.

Molecular Properties

Compound Name2,4-ditert-butyl-3-fluoro-6-methoxypyridine
PubChem CID177282926
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2,4-ditert-butyl-3-fluoro-6-methoxypyridine
SMILESCOc1cc(C(C)(C)C)c(F)c(C(C)(C)C)n1
InChIInChI=1S/C14H22FNO/c1-13(2,3)9-8-10(17-7)16-12(11(9)15)14(4,5)6/h8H,1-7H3
InChIKeyNHZITPMBTUXWQD-UHFFFAOYSA-N
XLogP3.82
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(difluoromethyl)-3-fluoro-6-methoxy-2-(trifluoromethyl)pyridine
CID 118840685
4-tert-butyl-2-methoxy-5-methylpyridine
CID 155218217
2-tert-butyl-3-chloro-6-methoxypyridine
CID 146377381
2,3-ditert-butyl-5,6-dimethoxypyridine
CID 155787492
4-tert-butyl-2-(4-tert-butyl-3-hydroxy-2-pyridinyl)-6-methoxypyridin-3-ol
CID 169227317
N,2-ditert-butyl-6-methoxypyrimidin-4-amine
CID 82456784
2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoic acid
CID 134110352
1,3-ditert-butyl-2-fluoro-5-iodobenzene
CID 90150782
methyl (Z)-3-(4-tert-butyl-6-methoxy-2-methyl-3-pyridinyl)prop-2-enoate
CID 135066700
3-tert-butyl-5-fluoro-2-methoxypyridine
CID 126576651
4-fluoro-6-methoxypyrimidin-2-amine
CID 759140
1-tert-butyl-5-fluoro-2,4-dimethoxybenzene
CID 148903890

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-3-fluoro-6-methoxypyridine?
The IUPAC name of 2,4-ditert-butyl-3-fluoro-6-methoxypyridine (CID 177282926) is 2,4-ditert-butyl-3-fluoro-6-methoxypyridine.
What is the SMILES notation for 2,4-ditert-butyl-3-fluoro-6-methoxypyridine?
The canonical SMILES for 2,4-ditert-butyl-3-fluoro-6-methoxypyridine is COc1cc(C(C)(C)C)c(F)c(C(C)(C)C)n1.
What is the InChIKey of 2,4-ditert-butyl-3-fluoro-6-methoxypyridine?
The InChIKey is NHZITPMBTUXWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-13(2,3)9-8-10(17-7)16-12(11(9)15)14(4,5)6/h8H,1-7H3.
What are the key properties of 2,4-ditert-butyl-3-fluoro-6-methoxypyridine?
2,4-ditert-butyl-3-fluoro-6-methoxypyridine has a molecular weight of 239.33 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-3-fluoro-6-methoxypyridine is sourced from PubChem (CID 177282926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).