[3-fluoro-2-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanol

C12H18FNO3 — CID 106666373

IUPAC[3-fluoro-2-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanol
SMILESCOC(C)(C)CCOc1nccc(CO)c1F
InChIInChI=1S/C12H18FNO3/c1-12(2,16-3)5-7-17-11-10(13)9(8-15)4-6-14-11/h4,6,15H,5,7-8H2,1-3H3
InChIKeyHROMJNKRGAIVCB-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.91
Rot. Bonds6

About [3-fluoro-2-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanol

[3-fluoro-2-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanol (PubChem CID 106666373) has the molecular formula C12H18FNO3 and a molecular weight of 243.28 g/mol. Its IUPAC name is [3-fluoro-2-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-fluoro-2-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanol
PubChem CID106666373
Molecular FormulaC12H18FNO3
Molecular Weight243.28 g/mol
Exact Mass243.13
IUPAC Name[3-fluoro-2-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanol
SMILESCOC(C)(C)CCOc1nccc(CO)c1F
InChIInChI=1S/C12H18FNO3/c1-12(2,16-3)5-7-17-11-10(13)9(8-15)4-6-14-11/h4,6,15H,5,7-8H2,1-3H3
InChIKeyHROMJNKRGAIVCB-UHFFFAOYSA-N
XLogP1.91
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methanol
CID 106666377
[2-(3-methoxy-3-methylbutoxy)phenyl]methanol
CID 102975241
2-(3-methoxy-3-methylbutoxy)-4-methylpyridine-3-carbothioamide
CID 106665717
[2-(cyclopropylmethoxy)-3-fluoro-4-pyridinyl]methanol
CID 105383342
3-chloro-2-(3-methoxy-3-methylbutoxy)pyridine-4-carbonitrile
CID 107059221
[3-fluoro-2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanol
CID 105383241
ethyl 3-amino-2-(3-methoxy-3-methylbutoxy)pyridine-4-carboxylate
CID 106666343
[3-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanol
CID 105383338
[3-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]methanol
CID 103034160
[2-(2-chlorophenoxy)-3-fluoro-4-pyridinyl]methanol
CID 105383259
[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]methanol
CID 105383359
1-[2-(3,3-dimethylbutoxy)-3-fluoro-4-pyridinyl]-2,2-dimethylpropan-1-ol
CID 155439102

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanol?
The IUPAC name of [3-fluoro-2-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanol (CID 106666373) is [3-fluoro-2-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [3-fluoro-2-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanol?
The canonical SMILES for [3-fluoro-2-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanol is COC(C)(C)CCOc1nccc(CO)c1F.
What is the InChIKey of [3-fluoro-2-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanol?
The InChIKey is HROMJNKRGAIVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3/c1-12(2,16-3)5-7-17-11-10(13)9(8-15)4-6-14-11/h4,6,15H,5,7-8H2,1-3H3.
What are the key properties of [3-fluoro-2-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanol?
[3-fluoro-2-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanol has a molecular weight of 243.28 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 106666373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).