(5-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol

C12H12FNOS — CID 104737569

IUPAC(5-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol
SMILESCCc1ccc(C(O)c2ccncc2F)s1
InChIInChI=1S/C12H12FNOS/c1-2-8-3-4-11(16-8)12(15)9-5-6-14-7-10(9)13/h3-7,12,15H,2H2,1H3
InChIKeyRBWIDITVRMZJCF-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.93
Rot. Bonds3

About (5-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol

(5-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol (PubChem CID 104737569) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol
PubChem CID104737569
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name(5-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol
SMILESCCc1ccc(C(O)c2ccncc2F)s1
InChIInChI=1S/C12H12FNOS/c1-2-8-3-4-11(16-8)12(15)9-5-6-14-7-10(9)13/h3-7,12,15H,2H2,1H3
InChIKeyRBWIDITVRMZJCF-UHFFFAOYSA-N
XLogP2.93
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol?
The IUPAC name of (5-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol (CID 104737569) is (5-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol.
What is the SMILES notation for (5-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol?
The canonical SMILES for (5-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol is CCc1ccc(C(O)c2ccncc2F)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol?
The InChIKey is RBWIDITVRMZJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-2-8-3-4-11(16-8)12(15)9-5-6-14-7-10(9)13/h3-7,12,15H,2H2,1H3.
What are the key properties of (5-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol?
(5-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol has a molecular weight of 237.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol is sourced from PubChem (CID 104737569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).