(5-bromothiophen-3-yl)-(2-ethoxy-3-fluoro-4-pyridinyl)methanol

C12H11BrFNO2S — CID 114270757

IUPAC(5-bromothiophen-3-yl)-(2-ethoxy-3-fluoro-4-pyridinyl)methanol
SMILESCCOc1nccc(C(O)c2csc(Br)c2)c1F
InChIInChI=1S/C12H11BrFNO2S/c1-2-17-12-10(14)8(3-4-15-12)11(16)7-5-9(13)18-6-7/h3-6,11,16H,2H2,1H3
InChIKeyMUPPGQZYJOWPCR-UHFFFAOYSA-N
MW332.19 g/mol
LogP3.53
Rot. Bonds4

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

(5-bromothiophen-3-yl)-(2-ethoxy-3-fluoro-4-pyridinyl)methanol (PubChem CID 114270757) has the molecular formula C12H11BrFNO2S and a molecular weight of 332.19 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(2-ethoxy-3-fluoro-4-pyridinyl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(2-ethoxy-3-fluoro-4-pyridinyl)methanol
PubChem CID114270757
Molecular FormulaC12H11BrFNO2S
Molecular Weight332.19 g/mol
Exact Mass330.97
IUPAC Name(5-bromothiophen-3-yl)-(2-ethoxy-3-fluoro-4-pyridinyl)methanol
SMILESCCOc1nccc(C(O)c2csc(Br)c2)c1F
InChIInChI=1S/C12H11BrFNO2S/c1-2-17-12-10(14)8(3-4-15-12)11(16)7-5-9(13)18-6-7/h3-6,11,16H,2H2,1H3
InChIKeyMUPPGQZYJOWPCR-UHFFFAOYSA-N
XLogP3.53
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(2-ethoxy-3-fluoro-4-pyridinyl)methanol?
The IUPAC name of (5-bromothiophen-3-yl)-(2-ethoxy-3-fluoro-4-pyridinyl)methanol (CID 114270757) is (5-bromothiophen-3-yl)-(2-ethoxy-3-fluoro-4-pyridinyl)methanol.
What is the SMILES notation for (5-bromothiophen-3-yl)-(2-ethoxy-3-fluoro-4-pyridinyl)methanol?
The canonical SMILES for (5-bromothiophen-3-yl)-(2-ethoxy-3-fluoro-4-pyridinyl)methanol is CCOc1nccc(C(O)c2csc(Br)c2)c1F.
What is the InChIKey of (5-bromothiophen-3-yl)-(2-ethoxy-3-fluoro-4-pyridinyl)methanol?
The InChIKey is MUPPGQZYJOWPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO2S/c1-2-17-12-10(14)8(3-4-15-12)11(16)7-5-9(13)18-6-7/h3-6,11,16H,2H2,1H3.
What are the key properties of (5-bromothiophen-3-yl)-(2-ethoxy-3-fluoro-4-pyridinyl)methanol?
(5-bromothiophen-3-yl)-(2-ethoxy-3-fluoro-4-pyridinyl)methanol has a molecular weight of 332.19 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(2-ethoxy-3-fluoro-4-pyridinyl)methanol is sourced from PubChem (CID 114270757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).