(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanol

C12H16FNO — CID 115834007

IUPAC(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanol
SMILESCC1(C(O)c2ccncc2F)CCCC1
InChIInChI=1S/C12H16FNO/c1-12(5-2-3-6-12)11(15)9-4-7-14-8-10(9)13/h4,7-8,11,15H,2-3,5-6H2,1H3
InChIKeyQNQCJNCHIVRDSP-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.83
Rot. Bonds2

About (3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanol

(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanol (PubChem CID 115834007) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanol.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanol
PubChem CID115834007
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanol
SMILESCC1(C(O)c2ccncc2F)CCCC1
InChIInChI=1S/C12H16FNO/c1-12(5-2-3-6-12)11(15)9-4-7-14-8-10(9)13/h4,7-8,11,15H,2-3,5-6H2,1H3
InChIKeyQNQCJNCHIVRDSP-UHFFFAOYSA-N
XLogP2.83
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanamine
CID 105038093
N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 105038430
(3-fluoro-4-pyridinyl)-(1-morpholin-4-ylcyclopentyl)methanol
CID 104738059
1-[(3-fluoro-4-pyridinyl)-hydroxymethyl]-4-methyl-7-azabicyclo[2.2.1]heptane-7-carboxylic acid
CID 170328788
1-[amino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 113447269
(2,6-difluorophenyl)-(1-methylcyclopentyl)methanol
CID 115799747
(3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622719
1-(3-fluoro-4-pyridinyl)butane-1,2-diol
CID 103454633
1-cyclopropyl-2-(3-fluoro-4-pyridinyl)ethane-1,2-diol
CID 103456925
6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol
CID 115833955
1-[ethylamino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 104738479
1-(3-fluoro-4-pyridinyl)ethanethiol
CID 89277032

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanol?
The IUPAC name of (3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanol (CID 115834007) is (3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanol.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanol?
The canonical SMILES for (3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanol is CC1(C(O)c2ccncc2F)CCCC1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanol?
The InChIKey is QNQCJNCHIVRDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-12(5-2-3-6-12)11(15)9-4-7-14-8-10(9)13/h4,7-8,11,15H,2-3,5-6H2,1H3.
What are the key properties of (3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanol?
(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanol has a molecular weight of 209.26 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanol is sourced from PubChem (CID 115834007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).