(3-bromothiophen-2-yl)-(6-methoxy-3-pyridinyl)methanol

C11H10BrNO2S — CID 114937839

IUPAC(3-bromothiophen-2-yl)-(6-methoxy-3-pyridinyl)methanol
SMILESCOc1ccc(C(O)c2sccc2Br)cn1
InChIInChI=1S/C11H10BrNO2S/c1-15-9-3-2-7(6-13-9)10(14)11-8(12)4-5-16-11/h2-6,10,14H,1H3
InChIKeyLHUUXRKMUKUNSX-UHFFFAOYSA-N
MW300.18 g/mol
LogP3.00
Rot. Bonds3

About (3-bromothiophen-2-yl)-(6-methoxy-3-pyridinyl)methanol

(3-bromothiophen-2-yl)-(6-methoxy-3-pyridinyl)methanol (PubChem CID 114937839) has the molecular formula C11H10BrNO2S and a molecular weight of 300.18 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(6-methoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(6-methoxy-3-pyridinyl)methanol
PubChem CID114937839
Molecular FormulaC11H10BrNO2S
Molecular Weight300.18 g/mol
Exact Mass298.96
IUPAC Name(3-bromothiophen-2-yl)-(6-methoxy-3-pyridinyl)methanol
SMILESCOc1ccc(C(O)c2sccc2Br)cn1
InChIInChI=1S/C11H10BrNO2S/c1-15-9-3-2-7(6-13-9)10(14)11-8(12)4-5-16-11/h2-6,10,14H,1H3
InChIKeyLHUUXRKMUKUNSX-UHFFFAOYSA-N
XLogP3.00
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(6-methoxy-3-pyridinyl)methanol?
The IUPAC name of (3-bromothiophen-2-yl)-(6-methoxy-3-pyridinyl)methanol (CID 114937839) is (3-bromothiophen-2-yl)-(6-methoxy-3-pyridinyl)methanol.
What is the SMILES notation for (3-bromothiophen-2-yl)-(6-methoxy-3-pyridinyl)methanol?
The canonical SMILES for (3-bromothiophen-2-yl)-(6-methoxy-3-pyridinyl)methanol is COc1ccc(C(O)c2sccc2Br)cn1.
What is the InChIKey of (3-bromothiophen-2-yl)-(6-methoxy-3-pyridinyl)methanol?
The InChIKey is LHUUXRKMUKUNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2S/c1-15-9-3-2-7(6-13-9)10(14)11-8(12)4-5-16-11/h2-6,10,14H,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(6-methoxy-3-pyridinyl)methanol?
(3-bromothiophen-2-yl)-(6-methoxy-3-pyridinyl)methanol has a molecular weight of 300.18 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(6-methoxy-3-pyridinyl)methanol is sourced from PubChem (CID 114937839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).