1-(3-fluoro-4-pyridinyl)-4-methylcyclohex-2-en-1-ol

C12H14FNO — CID 165491618

IUPAC1-(3-fluoro-4-pyridinyl)-4-methylcyclohex-2-en-1-ol
SMILESCC1C=CC(O)(c2ccncc2F)CC1
InChIInChI=1S/C12H14FNO/c1-9-2-5-12(15,6-3-9)10-4-7-14-8-11(10)13/h2,4-5,7-9,15H,3,6H2,1H3
InChIKeyQXQWUDJASMNMSR-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.39
Rot. Bonds1

About 1-(3-fluoro-4-pyridinyl)-4-methylcyclohex-2-en-1-ol

1-(3-fluoro-4-pyridinyl)-4-methylcyclohex-2-en-1-ol (PubChem CID 165491618) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-4-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-4-methylcyclohex-2-en-1-ol
PubChem CID165491618
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name1-(3-fluoro-4-pyridinyl)-4-methylcyclohex-2-en-1-ol
SMILESCC1C=CC(O)(c2ccncc2F)CC1
InChIInChI=1S/C12H14FNO/c1-9-2-5-12(15,6-3-9)10-4-7-14-8-11(10)13/h2,4-5,7-9,15H,3,6H2,1H3
InChIKeyQXQWUDJASMNMSR-UHFFFAOYSA-N
XLogP2.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(3-fluoro-4-pyridinyl)-2,6-dimethyloxan-4-ol
CID 104737699
1-(3-fluoro-4-pyridinyl)-2,4-dimethylcyclohexan-1-ol
CID 104737601
4-ethyl-1-(3-fluoro-4-pyridinyl)cyclohexan-1-ol
CID 104737480
1-(3-fluoro-4-pyridinyl)-2,3-dimethylcyclohexan-1-amine
CID 104737792
6-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexan-6-ol
CID 79331450
1-(3-fluoro-4-pyridinyl)cycloheptan-1-ol
CID 104737486
1-(3-fluoro-4-pyridinyl)-2-propylcyclopropan-1-ol
CID 79333295
13-(3-fluoro-4-pyridinyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-ol
CID 104737683
3-(3-fluoro-4-pyridinyl)-1-methylpyrrolidin-3-ol
CID 104737517
7-(3-fluoro-4-pyridinyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171964614
(4S)-1,4-dimethylcyclohex-2-en-1-ol
CID 89083200
4-(2-ethylpyrrolidin-2-yl)-3-fluoropyridine
CID 104738401

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-4-methylcyclohex-2-en-1-ol?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-4-methylcyclohex-2-en-1-ol (CID 165491618) is 1-(3-fluoro-4-pyridinyl)-4-methylcyclohex-2-en-1-ol.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-4-methylcyclohex-2-en-1-ol?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-4-methylcyclohex-2-en-1-ol is CC1C=CC(O)(c2ccncc2F)CC1.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-4-methylcyclohex-2-en-1-ol?
The InChIKey is QXQWUDJASMNMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-9-2-5-12(15,6-3-9)10-4-7-14-8-11(10)13/h2,4-5,7-9,15H,3,6H2,1H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-4-methylcyclohex-2-en-1-ol?
1-(3-fluoro-4-pyridinyl)-4-methylcyclohex-2-en-1-ol has a molecular weight of 207.25 g/mol, XLogP of 2.39, 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)-4-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 165491618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).