(4-bromothiophen-2-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol

C11H9BrFNO2S — CID 114270344

IUPAC(4-bromothiophen-2-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol
SMILESCOc1nccc(C(O)c2cc(Br)cs2)c1F
InChIInChI=1S/C11H9BrFNO2S/c1-16-11-9(13)7(2-3-14-11)10(15)8-4-6(12)5-17-8/h2-5,10,15H,1H3
InChIKeySGFAOUQBGYUQDR-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.13
Rot. Bonds3

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

(4-bromothiophen-2-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol (PubChem CID 114270344) has the molecular formula C11H9BrFNO2S and a molecular weight of 318.17 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol
PubChem CID114270344
Molecular FormulaC11H9BrFNO2S
Molecular Weight318.17 g/mol
Exact Mass316.95
IUPAC Name(4-bromothiophen-2-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol
SMILESCOc1nccc(C(O)c2cc(Br)cs2)c1F
InChIInChI=1S/C11H9BrFNO2S/c1-16-11-9(13)7(2-3-14-11)10(15)8-4-6(12)5-17-8/h2-5,10,15H,1H3
InChIKeySGFAOUQBGYUQDR-UHFFFAOYSA-N
XLogP3.13
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol?
The IUPAC name of (4-bromothiophen-2-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol (CID 114270344) is (4-bromothiophen-2-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol.
What is the SMILES notation for (4-bromothiophen-2-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol?
The canonical SMILES for (4-bromothiophen-2-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol is COc1nccc(C(O)c2cc(Br)cs2)c1F.
What is the InChIKey of (4-bromothiophen-2-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol?
The InChIKey is SGFAOUQBGYUQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO2S/c1-16-11-9(13)7(2-3-14-11)10(15)8-4-6(12)5-17-8/h2-5,10,15H,1H3.
What are the key properties of (4-bromothiophen-2-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol?
(4-bromothiophen-2-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol has a molecular weight of 318.17 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol is sourced from PubChem (CID 114270344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).