ethane;[3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]methanol

C14H15F2NO — CID 169264740

IUPACethane;[3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]methanol
SMILESCC.OCc1ccnc(-c2ccc(F)cc2)c1F
InChIInChI=1S/C12H9F2NO.C2H6/c13-10-3-1-8(2-4-10)12-11(14)9(7-16)5-6-15-12;1-2/h1-6,16H,7H2;1-2H3
InChIKeyQGSICSKQUOXOAG-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.55
Rot. Bonds2

About ethane;[3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]methanol

ethane;[3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]methanol (PubChem CID 169264740) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is ethane;[3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Nameethane;[3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]methanol
PubChem CID169264740
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC Nameethane;[3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]methanol
SMILESCC.OCc1ccnc(-c2ccc(F)cc2)c1F
InChIInChI=1S/C12H9F2NO.C2H6/c13-10-3-1-8(2-4-10)12-11(14)9(7-16)5-6-15-12;1-2/h1-6,16H,7H2;1-2H3
InChIKeyQGSICSKQUOXOAG-UHFFFAOYSA-N
XLogP3.55
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-fluorophenyl)-3-pyridinyl]methanol
CID 22158045
2-[2-(4-fluorophenyl)-3-pyridinyl]ethanol
CID 117001602
4-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine
CID 131869642
2-(4-fluorophenyl)pyridin-3-ol
CID 22724568
[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methanol
CID 39095873
5-[2-(4-fluorophenyl)-3-pyridinyl]pentan-1-ol
CID 22368196
(3-fluoro-2-pyrazol-1-yl-4-pyridinyl)methanol
CID 105383202
[2-(2-chlorophenoxy)-3-fluoro-4-pyridinyl]methanol
CID 105383259
[2-(2,4-dichlorophenyl)-3-fluoro-4-pyridinyl]methanol
CID 118813716
[5-(4-fluorophenyl)-3-methylimidazol-4-yl]methanol
CID 10560192
[4-(4-fluorophenyl)-1H-imidazol-5-yl]methanol
CID 10535740
[3-fluoro-2-(3-fluoro-N-methylanilino)-4-pyridinyl]methanol
CID 105383032

Frequently Asked Questions

What is the IUPAC name of ethane;[3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]methanol?
The IUPAC name of ethane;[3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]methanol (CID 169264740) is ethane;[3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]methanol.
What is the SMILES notation for ethane;[3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]methanol?
The canonical SMILES for ethane;[3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]methanol is CC.OCc1ccnc(-c2ccc(F)cc2)c1F.
What is the InChIKey of ethane;[3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]methanol?
The InChIKey is QGSICSKQUOXOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO.C2H6/c13-10-3-1-8(2-4-10)12-11(14)9(7-16)5-6-15-12;1-2/h1-6,16H,7H2;1-2H3.
What are the key properties of ethane;[3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]methanol?
ethane;[3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]methanol has a molecular weight of 251.28 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]methanol is sourced from PubChem (CID 169264740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).