1-(3-fluoro-4-pyridinyl)-4-methylpentan-3-ol

C11H16FNO — CID 104739077

IUPAC1-(3-fluoro-4-pyridinyl)-4-methylpentan-3-ol
SMILESCC(C)C(O)CCc1ccncc1F
InChIInChI=1S/C11H16FNO/c1-8(2)11(14)4-3-9-5-6-13-7-10(9)12/h5-8,11,14H,3-4H2,1-2H3
InChIKeyFIMACTUPDJPCOB-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.17
Rot. Bonds4

About 1-(3-fluoro-4-pyridinyl)-4-methylpentan-3-ol

1-(3-fluoro-4-pyridinyl)-4-methylpentan-3-ol (PubChem CID 104739077) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-4-methylpentan-3-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-4-methylpentan-3-ol
PubChem CID104739077
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name1-(3-fluoro-4-pyridinyl)-4-methylpentan-3-ol
SMILESCC(C)C(O)CCc1ccncc1F
InChIInChI=1S/C11H16FNO/c1-8(2)11(14)4-3-9-5-6-13-7-10(9)12/h5-8,11,14H,3-4H2,1-2H3
InChIKeyFIMACTUPDJPCOB-UHFFFAOYSA-N
XLogP2.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-fluoro-4-pyridinyl)ethyl]propan-2-amine
CID 104738943
6-(4-amino-3-pyridinyl)-2-methylhexan-3-ol
CID 64515366
3-(3-fluoro-4-pyridinyl)propanoic acid
CID 84653318
N-[(3-fluoro-4-pyridinyl)methyl]-2-methylpropanamide
CID 171523645
4-(3-bromopropyl)-3-fluoropyridine
CID 104739099
3-fluoro-4-(fluoromethyl)pyridine
CID 105427398
3-fluoro-4-(methoxymethyl)pyridine
CID 143620796
1-(3-fluoro-4-pyridinyl)butane-1,2-diol
CID 103454633
1-[1-[(3-fluoro-4-pyridinyl)methyl]pyrazol-4-yl]-2-methylpropan-1-one
CID 171593904
1-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methylbutan-1-one
CID 103455294
1-(4-fluoro-3-methylphenyl)-4-methylpentan-3-ol
CID 64515839
ethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide
CID 171522941

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-4-methylpentan-3-ol?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-4-methylpentan-3-ol (CID 104739077) is 1-(3-fluoro-4-pyridinyl)-4-methylpentan-3-ol.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-4-methylpentan-3-ol?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-4-methylpentan-3-ol is CC(C)C(O)CCc1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-4-methylpentan-3-ol?
The InChIKey is FIMACTUPDJPCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8(2)11(14)4-3-9-5-6-13-7-10(9)12/h5-8,11,14H,3-4H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-4-methylpentan-3-ol?
1-(3-fluoro-4-pyridinyl)-4-methylpentan-3-ol has a molecular weight of 197.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-4-methylpentan-3-ol is sourced from PubChem (CID 104739077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).