1-(2-bicyclo[2.2.1]heptanyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol

C16H22FNO — CID 112585911

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
SMILESCCC(O)(CC1CC2CCC1C2)c1ccc(F)cn1
InChIInChI=1S/C16H22FNO/c1-2-16(19,15-6-5-14(17)10-18-15)9-13-8-11-3-4-12(13)7-11/h5-6,10-13,19H,2-4,7-9H2,1H3
InChIKeyFSZQPDMGXAEBKC-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.64
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol

1-(2-bicyclo[2.2.1]heptanyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol (PubChem CID 112585911) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
PubChem CID112585911
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
SMILESCCC(O)(CC1CC2CCC1C2)c1ccc(F)cn1
InChIInChI=1S/C16H22FNO/c1-2-16(19,15-6-5-14(17)10-18-15)9-13-8-11-3-4-12(13)7-11/h5-6,10-13,19H,2-4,7-9H2,1H3
InChIKeyFSZQPDMGXAEBKC-UHFFFAOYSA-N
XLogP3.64
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2-Methylphenyl)(2-pyridinyl)methanol
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(+-)-cis-2,6-Dimethyl-alpha-phenyl-alpha-2-pyridyl-1-piperidinebutanol monohydrochloride
CID 76962233
(7R)-9-methyl-7-((4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 24894425
(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1R)-1-hydroxy-1-pyridin-2-ylethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 49863858
(3S,8R,9S,10S,13S,14S,17S)-17-(1-hydroxy-1-pyridin-2-ylethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 76322295
(1R,3aS,7aS)-1-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-2-methyl-1,3,3a,4,5,6,7,7a-octahydroinden-2-ol
CID 76328107
trans-(1S,3R)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 127043869
cis-(1R,3R)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 127043870

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol (CID 112585911) is 1-(2-bicyclo[2.2.1]heptanyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol is CCC(O)(CC1CC2CCC1C2)c1ccc(F)cn1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol?
The InChIKey is FSZQPDMGXAEBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-2-16(19,15-6-5-14(17)10-18-15)9-13-8-11-3-4-12(13)7-11/h5-6,10-13,19H,2-4,7-9H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol?
1-(2-bicyclo[2.2.1]heptanyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol has a molecular weight of 263.36 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol is sourced from PubChem (CID 112585911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).