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

C12H16FNO — CID 104737486

IUPAC1-(3-fluoro-4-pyridinyl)cycloheptan-1-ol
SMILESOC1(c2ccncc2F)CCCCCC1
InChIInChI=1S/C12H16FNO/c13-11-9-14-8-5-10(11)12(15)6-3-1-2-4-7-12/h5,8-9,15H,1-4,6-7H2
InChIKeyNHZIPEINECMYDJ-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.76
Rot. Bonds1

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

1-(3-fluoro-4-pyridinyl)cycloheptan-1-ol (PubChem CID 104737486) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)cycloheptan-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)cycloheptan-1-ol
PubChem CID104737486
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-(3-fluoro-4-pyridinyl)cycloheptan-1-ol
SMILESOC1(c2ccncc2F)CCCCCC1
InChIInChI=1S/C12H16FNO/c13-11-9-14-8-5-10(11)12(15)6-3-1-2-4-7-12/h5,8-9,15H,1-4,6-7H2
InChIKeyNHZIPEINECMYDJ-UHFFFAOYSA-N
XLogP2.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-(3-fluoro-4-pyridinyl)cyclohexan-1-ol
CID 104737480
3-(3-fluoro-4-pyridinyl)-1-methylpyrrolidin-3-ol
CID 104737517
6-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexan-6-ol
CID 79331450
4-(3-fluoro-4-pyridinyl)-2,6-dimethyloxan-4-ol
CID 104737699
1-(2,3,4-trifluorophenyl)cycloheptan-1-ol
CID 62964767
7-(3-fluoro-4-pyridinyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171964614
1-(3-fluoro-4-pyridinyl)-2,3-dimethylcyclohexan-1-amine
CID 104737792
1-(3-fluoro-4-pyridinyl)-4-methylcyclohex-2-en-1-ol
CID 165491618
1-(3-fluoro-4-pyridinyl)-2,4-dimethylcyclohexan-1-ol
CID 104737601
4-(3-fluoro-4-pyridinyl)oxepan-4-amine
CID 104737796
4-fluoro-4-(3-fluoro-4-pyridinyl)azepane
CID 104739540
4-(2-ethylpyrrolidin-2-yl)-3-fluoropyridine
CID 104738401

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)cycloheptan-1-ol?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)cycloheptan-1-ol (CID 104737486) is 1-(3-fluoro-4-pyridinyl)cycloheptan-1-ol.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)cycloheptan-1-ol?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)cycloheptan-1-ol is OC1(c2ccncc2F)CCCCCC1.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)cycloheptan-1-ol?
The InChIKey is NHZIPEINECMYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-9-14-8-5-10(11)12(15)6-3-1-2-4-7-12/h5,8-9,15H,1-4,6-7H2.
What are the key properties of 1-(3-fluoro-4-pyridinyl)cycloheptan-1-ol?
1-(3-fluoro-4-pyridinyl)cycloheptan-1-ol has a molecular weight of 209.26 g/mol, XLogP of 2.76, 1 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)cycloheptan-1-ol is sourced from PubChem (CID 104737486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).