1-(5-bromothiophen-2-yl)-4-pyridin-2-ylbutan-2-ol

C13H14BrNOS — CID 105087342

IUPAC1-(5-bromothiophen-2-yl)-4-pyridin-2-ylbutan-2-ol
SMILESOC(CCc1ccccn1)Cc1ccc(Br)s1
InChIInChI=1S/C13H14BrNOS/c14-13-7-6-12(17-13)9-11(16)5-4-10-3-1-2-8-15-10/h1-3,6-8,11,16H,4-5,9H2
InChIKeyNBFJQRKYZIKYMI-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.44
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-4-pyridin-2-ylbutan-2-ol

1-(5-bromothiophen-2-yl)-4-pyridin-2-ylbutan-2-ol (PubChem CID 105087342) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-4-pyridin-2-ylbutan-2-ol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-4-pyridin-2-ylbutan-2-ol
PubChem CID105087342
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name1-(5-bromothiophen-2-yl)-4-pyridin-2-ylbutan-2-ol
SMILESOC(CCc1ccccn1)Cc1ccc(Br)s1
InChIInChI=1S/C13H14BrNOS/c14-13-7-6-12(17-13)9-11(16)5-4-10-3-1-2-8-15-10/h1-3,6-8,11,16H,4-5,9H2
InChIKeyNBFJQRKYZIKYMI-UHFFFAOYSA-N
XLogP3.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(5-bromothiophen-2-yl)methoxy]ethyl]pyridine
CID 55206860
1-(5-bromothiophen-2-yl)-3-pyridin-2-ylpropan-2-one
CID 62620028
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-pyridin-2-ylbutan-2-ol
CID 105123843
1-(furan-2-yl)-4-pyridin-2-ylbutan-2-ol
CID 105122992
1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-ol
CID 105100110
1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol
CID 105080302
1-(3-bromo-2,6-difluorophenyl)-4-pyridin-2-ylbutan-2-ol
CID 106274491
1-(2-methyl-1,3-thiazol-4-yl)-4-pyridin-2-ylbutan-2-ol
CID 105106766
1-(5-bromothiophen-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol
CID 105087287
1-(5-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927721
N-ethyl-1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-amine
CID 105136068
1-pyridin-2-yldec-9-en-3-ol
CID 107012287

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-4-pyridin-2-ylbutan-2-ol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-4-pyridin-2-ylbutan-2-ol (CID 105087342) is 1-(5-bromothiophen-2-yl)-4-pyridin-2-ylbutan-2-ol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-4-pyridin-2-ylbutan-2-ol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-4-pyridin-2-ylbutan-2-ol is OC(CCc1ccccn1)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-4-pyridin-2-ylbutan-2-ol?
The InChIKey is NBFJQRKYZIKYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS/c14-13-7-6-12(17-13)9-11(16)5-4-10-3-1-2-8-15-10/h1-3,6-8,11,16H,4-5,9H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-4-pyridin-2-ylbutan-2-ol?
1-(5-bromothiophen-2-yl)-4-pyridin-2-ylbutan-2-ol has a molecular weight of 312.23 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-4-pyridin-2-ylbutan-2-ol is sourced from PubChem (CID 105087342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).