(2,5-dibromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol

C8H7Br2N3OS — CID 107969905

IUPAC(2,5-dibromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1cc(Br)sc1Br
InChIInChI=1S/C8H7Br2N3OS/c1-13-5(3-11-12-13)7(14)4-2-6(9)15-8(4)10/h2-3,7,14H,1H3
InChIKeyFJWFGJVFXBHUOI-UHFFFAOYSA-N
MW353.04 g/mol
LogP2.48
Rot. Bonds2

About (2,5-dibromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol

(2,5-dibromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol (PubChem CID 107969905) has the molecular formula C8H7Br2N3OS and a molecular weight of 353.04 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
PubChem CID107969905
Molecular FormulaC8H7Br2N3OS
Molecular Weight353.04 g/mol
Exact Mass350.87
IUPAC Name(2,5-dibromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1cc(Br)sc1Br
InChIInChI=1S/C8H7Br2N3OS/c1-13-5(3-11-12-13)7(14)4-2-6(9)15-8(4)10/h2-3,7,14H,1H3
InChIKeyFJWFGJVFXBHUOI-UHFFFAOYSA-N
XLogP2.48
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.04
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Bromo-5-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 102829636
(4-Bromo-5-methylthiophen-2-yl)-(3-propyltriazol-4-yl)methanol
CID 102829768
(4-Bromo-5-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 102830038
(5-Bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
CID 105126972
1-(3-Propyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105127149
(5-Bromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
CID 105128677
1-(3-Methyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105128790
(5-Bromo-3-methyltriazol-4-yl)-(5-bromothiophen-2-yl)methanol
CID 106461122
(5-Bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol
CID 106461139
(5-Bromo-3-methyltriazol-4-yl)-(3-methylthiophen-2-yl)methanol
CID 106461166
(5-Bromo-3-methyltriazol-4-yl)-(2,5-dimethylthiophen-3-yl)methanol
CID 106461210
(5-Bromo-3-methyltriazol-4-yl)-(4,5-dibromothiophen-2-yl)methanol
CID 106461440

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol (CID 107969905) is (2,5-dibromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol is Cn1nncc1C(O)c1cc(Br)sc1Br.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is FJWFGJVFXBHUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2N3OS/c1-13-5(3-11-12-13)7(14)4-2-6(9)15-8(4)10/h2-3,7,14H,1H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol?
(2,5-dibromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 353.04 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 107969905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).