(5-bromo-3-methyltriazol-4-yl)-(4-chlorophenyl)methanol

C10H9BrClN3O — CID 106461142

IUPAC(5-bromo-3-methyltriazol-4-yl)-(4-chlorophenyl)methanol
SMILESCn1nnc(Br)c1C(O)c1ccc(Cl)cc1
InChIInChI=1S/C10H9BrClN3O/c1-15-8(10(11)13-14-15)9(16)6-2-4-7(12)5-3-6/h2-5,9,16H,1H3
InChIKeyMYZKPHPLZFZYKO-UHFFFAOYSA-N
MW302.56 g/mol
LogP2.31
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-(4-chlorophenyl)methanol

(5-bromo-3-methyltriazol-4-yl)-(4-chlorophenyl)methanol (PubChem CID 106461142) has the molecular formula C10H9BrClN3O and a molecular weight of 302.56 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(4-chlorophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(4-chlorophenyl)methanol
PubChem CID106461142
Molecular FormulaC10H9BrClN3O
Molecular Weight302.56 g/mol
Exact Mass300.96
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(4-chlorophenyl)methanol
SMILESCn1nnc(Br)c1C(O)c1ccc(Cl)cc1
InChIInChI=1S/C10H9BrClN3O/c1-15-8(10(11)13-14-15)9(16)6-2-4-7(12)5-3-6/h2-5,9,16H,1H3
InChIKeyMYZKPHPLZFZYKO-UHFFFAOYSA-N
XLogP2.31
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-4-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461184
(5-bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol
CID 106461139
(5-bromo-3-methyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanol
CID 106465474
(4-bromo-5-chlorothiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461442
(5-bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 106461185
(5-bromo-3-methyltriazol-4-yl)-quinolin-2-ylmethanol
CID 106461258
(5-bromo-3-methyltriazol-4-yl)-(2,4,5-trimethoxyphenyl)methanol
CID 106461168
(5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol
CID 106461135
(2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461945
(5-bromo-3-methyltriazol-4-yl)-(5-ethylfuran-2-yl)methanol
CID 106461197
(5-bromo-3-methyltriazol-4-yl)-(5-ethylthiophen-2-yl)methanol
CID 106461206
(5-bromo-3-methyltriazol-4-yl)-(2-fluoro-3-methylphenyl)methanol
CID 106465421

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(4-chlorophenyl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(4-chlorophenyl)methanol (CID 106461142) is (5-bromo-3-methyltriazol-4-yl)-(4-chlorophenyl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(4-chlorophenyl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(4-chlorophenyl)methanol is Cn1nnc(Br)c1C(O)c1ccc(Cl)cc1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(4-chlorophenyl)methanol?
The InChIKey is MYZKPHPLZFZYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3O/c1-15-8(10(11)13-14-15)9(16)6-2-4-7(12)5-3-6/h2-5,9,16H,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(4-chlorophenyl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(4-chlorophenyl)methanol has a molecular weight of 302.56 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(4-chlorophenyl)methanol is sourced from PubChem (CID 106461142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).