(3-bromothiophen-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol

C12H12BrNOS — CID 107502982

IUPAC(3-bromothiophen-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol
SMILESCc1cc(C(O)c2sccc2Br)cc(C)n1
InChIInChI=1S/C12H12BrNOS/c1-7-5-9(6-8(2)14-7)11(15)12-10(13)3-4-16-12/h3-6,11,15H,1-2H3
InChIKeyGXVDCDXPDBQRCE-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.60
Rot. Bonds2

About (3-bromothiophen-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol

(3-bromothiophen-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol (PubChem CID 107502982) has the molecular formula C12H12BrNOS and a molecular weight of 298.21 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol
PubChem CID107502982
Molecular FormulaC12H12BrNOS
Molecular Weight298.21 g/mol
Exact Mass296.98
IUPAC Name(3-bromothiophen-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol
SMILESCc1cc(C(O)c2sccc2Br)cc(C)n1
InChIInChI=1S/C12H12BrNOS/c1-7-5-9(6-8(2)14-7)11(15)12-10(13)3-4-16-12/h3-6,11,15H,1-2H3
InChIKeyGXVDCDXPDBQRCE-UHFFFAOYSA-N
XLogP3.60
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-bromothiophen-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,6-dimethyl-4-pyridinyl)-(3-methylthiophen-2-yl)methanol
CID 107502869
(3-aminophenyl)-(3-bromothiophen-2-yl)methanol
CID 106695750
(3-bromothiophen-2-yl)-quinolin-7-ylmethanol
CID 113298220
(3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanol
CID 80535842
(3-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol
CID 63796291
(3-bromothiophen-2-yl)-(6-methoxy-3-pyridinyl)methanol
CID 114937839
(3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanol
CID 63796447
(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 79730854
(3-bromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 55238404
(3-bromo-4-fluorophenyl)-(3-methylthiophen-2-yl)methanol
CID 79747205
(1R)-1-(3-bromothiophen-2-yl)propan-1-ol
CID 82758861
(2-bromo-4-fluorophenyl)-(3-bromothiophen-2-yl)methanol
CID 80535969

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol?
The IUPAC name of (3-bromothiophen-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol (CID 107502982) is (3-bromothiophen-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol.
What is the SMILES notation for (3-bromothiophen-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol?
The canonical SMILES for (3-bromothiophen-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol is Cc1cc(C(O)c2sccc2Br)cc(C)n1.
What is the InChIKey of (3-bromothiophen-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol?
The InChIKey is GXVDCDXPDBQRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c1-7-5-9(6-8(2)14-7)11(15)12-10(13)3-4-16-12/h3-6,11,15H,1-2H3.
What are the key properties of (3-bromothiophen-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol?
(3-bromothiophen-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol has a molecular weight of 298.21 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol is sourced from PubChem (CID 107502982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).