1-cyclopropyl-2-(3-fluoro-4-pyridinyl)ethane-1,2-diol

C10H12FNO2 — CID 103456925

IUPAC1-cyclopropyl-2-(3-fluoro-4-pyridinyl)ethane-1,2-diol
SMILESOC(c1ccncc1F)C(O)C1CC1
InChIInChI=1S/C10H12FNO2/c11-8-5-12-4-3-7(8)10(14)9(13)6-1-2-6/h3-6,9-10,13-14H,1-2H2
InChIKeyQYOSKFLBDTZGNZ-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.02
Rot. Bonds3

About 1-cyclopropyl-2-(3-fluoro-4-pyridinyl)ethane-1,2-diol

1-cyclopropyl-2-(3-fluoro-4-pyridinyl)ethane-1,2-diol (PubChem CID 103456925) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-fluoro-4-pyridinyl)ethane-1,2-diol.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-fluoro-4-pyridinyl)ethane-1,2-diol
PubChem CID103456925
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name1-cyclopropyl-2-(3-fluoro-4-pyridinyl)ethane-1,2-diol
SMILESOC(c1ccncc1F)C(O)C1CC1
InChIInChI=1S/C10H12FNO2/c11-8-5-12-4-3-7(8)10(14)9(13)6-1-2-6/h3-6,9-10,13-14H,1-2H2
InChIKeyQYOSKFLBDTZGNZ-UHFFFAOYSA-N
XLogP1.02
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-pyridinyl)butane-1,2-diol
CID 103454633
(3-fluoro-4-pyridinyl)-(4-propylcyclohexyl)methanol
CID 104738027
6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol
CID 115833955
(1S)-2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanamine
CID 130679719
4-(3-fluoro-4-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171877157
1-(3-fluoro-4-pyridinyl)prop-2-yn-1-ol
CID 105106256
2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid
CID 104737624
(3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 115833939
[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethyl]hydrazine
CID 105254097
(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanol
CID 115834007
1-(3-fluoro-4-pyridinyl)-2-(oxolan-2-yl)ethanol
CID 104737979
2-ethoxy-1-(3-fluoro-4-pyridinyl)-3-methylbutan-1-ol
CID 116712381

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3-fluoro-4-pyridinyl)ethane-1,2-diol?
The IUPAC name of 1-cyclopropyl-2-(3-fluoro-4-pyridinyl)ethane-1,2-diol (CID 103456925) is 1-cyclopropyl-2-(3-fluoro-4-pyridinyl)ethane-1,2-diol.
What is the SMILES notation for 1-cyclopropyl-2-(3-fluoro-4-pyridinyl)ethane-1,2-diol?
The canonical SMILES for 1-cyclopropyl-2-(3-fluoro-4-pyridinyl)ethane-1,2-diol is OC(c1ccncc1F)C(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(3-fluoro-4-pyridinyl)ethane-1,2-diol?
The InChIKey is QYOSKFLBDTZGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c11-8-5-12-4-3-7(8)10(14)9(13)6-1-2-6/h3-6,9-10,13-14H,1-2H2.
What are the key properties of 1-cyclopropyl-2-(3-fluoro-4-pyridinyl)ethane-1,2-diol?
1-cyclopropyl-2-(3-fluoro-4-pyridinyl)ethane-1,2-diol has a molecular weight of 197.21 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3-fluoro-4-pyridinyl)ethane-1,2-diol is sourced from PubChem (CID 103456925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).