(4-bromo-5-chlorothiophen-2-yl)-pyrimidin-5-ylmethanol

C9H6BrClN2OS — CID 102829986

IUPAC(4-bromo-5-chlorothiophen-2-yl)-pyrimidin-5-ylmethanol
SMILESOC(c1cncnc1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C9H6BrClN2OS/c10-6-1-7(15-9(6)11)8(14)5-2-12-4-13-3-5/h1-4,8,14H
InChIKeyIQNBDABLVCZRDN-UHFFFAOYSA-N
MW305.58 g/mol
LogP3.04
Rot. Bonds2

About (4-bromo-5-chlorothiophen-2-yl)-pyrimidin-5-ylmethanol

(4-bromo-5-chlorothiophen-2-yl)-pyrimidin-5-ylmethanol (PubChem CID 102829986) has the molecular formula C9H6BrClN2OS and a molecular weight of 305.58 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-pyrimidin-5-ylmethanol
PubChem CID102829986
Molecular FormulaC9H6BrClN2OS
Molecular Weight305.58 g/mol
Exact Mass303.91
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-pyrimidin-5-ylmethanol
SMILESOC(c1cncnc1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C9H6BrClN2OS/c10-6-1-7(15-9(6)11)8(14)5-2-12-4-13-3-5/h1-4,8,14H
InChIKeyIQNBDABLVCZRDN-UHFFFAOYSA-N
XLogP3.04
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.58
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-bromo-5-chlorothiophen-2-yl)-pyrimidin-5-ylmethanol 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

(4-bromo-3-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 102835178
(4-bromo-5-chlorothiophen-2-yl)-(4-phenylphenyl)methanol
CID 102829826
(4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)methanol
CID 102830128
(4-bromo-5-chlorothiophen-2-yl)-(4-cyclopropyloxyphenyl)methanol
CID 102830279
(4-bromo-5-chlorothiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461442
(4-bromo-5-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 102834978
(4-bromo-5-chlorothiophen-2-yl)-(1-ethylimidazol-2-yl)methanol
CID 102830320
(5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol
CID 115781626
(5-chloro-1,3-thiazol-2-yl)-pyrimidin-5-ylmethanol
CID 107124813
(4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098965
(4-bromo-5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971715
1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclobutylethanol
CID 103165549

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-pyrimidin-5-ylmethanol?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-pyrimidin-5-ylmethanol (CID 102829986) is (4-bromo-5-chlorothiophen-2-yl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-pyrimidin-5-ylmethanol is OC(c1cncnc1)c1cc(Br)c(Cl)s1.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-pyrimidin-5-ylmethanol?
The InChIKey is IQNBDABLVCZRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2OS/c10-6-1-7(15-9(6)11)8(14)5-2-12-4-13-3-5/h1-4,8,14H.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-pyrimidin-5-ylmethanol?
(4-bromo-5-chlorothiophen-2-yl)-pyrimidin-5-ylmethanol has a molecular weight of 305.58 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chlorothiophen-2-yl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 102829986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).