(4-bromo-5-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol

C8H7BrClN3OS — CID 102830038

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1cc(Br)c(Cl)s1
InChIInChI=1S/C8H7BrClN3OS/c1-13-5(3-11-12-13)7(14)6-2-4(9)8(10)15-6/h2-3,7,14H,1H3
InChIKeyNAXZQEJVOOJPKH-UHFFFAOYSA-N
MW308.59 g/mol
LogP2.37
Rot. Bonds2

About (4-bromo-5-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol

(4-bromo-5-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol (PubChem CID 102830038) has the molecular formula C8H7BrClN3OS and a molecular weight of 308.59 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
PubChem CID102830038
Molecular FormulaC8H7BrClN3OS
Molecular Weight308.59 g/mol
Exact Mass306.92
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1cc(Br)c(Cl)s1
InChIInChI=1S/C8H7BrClN3OS/c1-13-5(3-11-12-13)7(14)6-2-4(9)8(10)15-6/h2-3,7,14H,1H3
InChIKeyNAXZQEJVOOJPKH-UHFFFAOYSA-N
XLogP2.37
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.59
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Fluorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 130594760
(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)-(2-methylpyrazol-3-yl)methanol
CID 102829895
(4-Bromo-5-chlorothiophen-2-yl)-pyrazin-2-ylmethanol
CID 102829897
(4-Bromo-5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanol
CID 102829929
(4-Bromo-5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanol
CID 102830282
(3-Chloro-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 103408272
(5-Bromo-3-methyltriazol-4-yl)-(5-bromothiophen-2-yl)methanol
CID 106461122
(5-Bromo-3-methyltriazol-4-yl)-thiophen-2-ylmethanol
CID 106461147
(5-Bromo-3-methyltriazol-4-yl)-(5-methylthiophen-2-yl)methanol
CID 106461173
(5-Bromo-3-methyltriazol-4-yl)-(5-chlorothiophen-2-yl)methanol
CID 106461195

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol (CID 102830038) is (4-bromo-5-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol is Cn1nncc1C(O)c1cc(Br)c(Cl)s1.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is NAXZQEJVOOJPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClN3OS/c1-13-5(3-11-12-13)7(14)6-2-4(9)8(10)15-6/h2-3,7,14H,1H3.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol?
(4-bromo-5-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 308.59 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 102830038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).