[6-[(5-bromothiophen-3-yl)methyl-methylamino]-3-pyridinyl]methanol

C12H13BrN2OS — CID 54986955

IUPAC[6-[(5-bromothiophen-3-yl)methyl-methylamino]-3-pyridinyl]methanol
SMILESCN(Cc1csc(Br)c1)c1ccc(CO)cn1
InChIInChI=1S/C12H13BrN2OS/c1-15(6-10-4-11(13)17-8-10)12-3-2-9(7-16)5-14-12/h2-5,8,16H,6-7H2,1H3
InChIKeyZQAJXSDDWCSGGL-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.03
Rot. Bonds4

About [6-[(5-bromothiophen-3-yl)methyl-methylamino]-3-pyridinyl]methanol

[6-[(5-bromothiophen-3-yl)methyl-methylamino]-3-pyridinyl]methanol (PubChem CID 54986955) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is [6-[(5-bromothiophen-3-yl)methyl-methylamino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[(5-bromothiophen-3-yl)methyl-methylamino]-3-pyridinyl]methanol
PubChem CID54986955
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC Name[6-[(5-bromothiophen-3-yl)methyl-methylamino]-3-pyridinyl]methanol
SMILESCN(Cc1csc(Br)c1)c1ccc(CO)cn1
InChIInChI=1S/C12H13BrN2OS/c1-15(6-10-4-11(13)17-8-10)12-3-2-9(7-16)5-14-12/h2-5,8,16H,6-7H2,1H3
InChIKeyZQAJXSDDWCSGGL-UHFFFAOYSA-N
XLogP3.03
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[(5-bromothiophen-3-yl)methyl-methylamino]-3-pyridinyl]methanol?
The IUPAC name of [6-[(5-bromothiophen-3-yl)methyl-methylamino]-3-pyridinyl]methanol (CID 54986955) is [6-[(5-bromothiophen-3-yl)methyl-methylamino]-3-pyridinyl]methanol.
What is the SMILES notation for [6-[(5-bromothiophen-3-yl)methyl-methylamino]-3-pyridinyl]methanol?
The canonical SMILES for [6-[(5-bromothiophen-3-yl)methyl-methylamino]-3-pyridinyl]methanol is CN(Cc1csc(Br)c1)c1ccc(CO)cn1.
What is the InChIKey of [6-[(5-bromothiophen-3-yl)methyl-methylamino]-3-pyridinyl]methanol?
The InChIKey is ZQAJXSDDWCSGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS/c1-15(6-10-4-11(13)17-8-10)12-3-2-9(7-16)5-14-12/h2-5,8,16H,6-7H2,1H3.
What are the key properties of [6-[(5-bromothiophen-3-yl)methyl-methylamino]-3-pyridinyl]methanol?
[6-[(5-bromothiophen-3-yl)methyl-methylamino]-3-pyridinyl]methanol has a molecular weight of 313.22 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(5-bromothiophen-3-yl)methyl-methylamino]-3-pyridinyl]methanol is sourced from PubChem (CID 54986955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).