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

C10H8Br2FN3O — CID 106461180

IUPAC(5-bromo-2-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
SMILESCn1nnc(Br)c1C(O)c1cc(Br)ccc1F
InChIInChI=1S/C10H8Br2FN3O/c1-16-8(10(12)14-15-16)9(17)6-4-5(11)2-3-7(6)13/h2-4,9,17H,1H3
InChIKeyPDJBXNKHVSONKE-UHFFFAOYSA-N
MW365.00 g/mol
LogP2.56
Rot. Bonds2

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

(5-bromo-2-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol (PubChem CID 106461180) has the molecular formula C10H8Br2FN3O and a molecular weight of 365.00 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
PubChem CID106461180
Molecular FormulaC10H8Br2FN3O
Molecular Weight365.00 g/mol
Exact Mass362.90
IUPAC Name(5-bromo-2-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
SMILESCn1nnc(Br)c1C(O)c1cc(Br)ccc1F
InChIInChI=1S/C10H8Br2FN3O/c1-16-8(10(12)14-15-16)9(17)6-4-5(11)2-3-7(6)13/h2-4,9,17H,1H3
InChIKeyPDJBXNKHVSONKE-UHFFFAOYSA-N
XLogP2.56
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.00
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(3-bromophenyl)-2-(4,5,6,7-tetrahydrobenzotriazol-1-yl)ethanol
CID 164642287
[5-[(4-Fluorophenyl)methyl]-1-methyltriazol-4-yl]methanol
CID 82207725
[3-Octyl-5-(trifluoromethyl)triazol-4-yl]-phenylmethanol
CID 101854991
(5-Bromo-3-methyltriazol-4-yl)-(4-fluoronaphthalen-1-yl)methanol
CID 105602734
1-(5-Bromo-3-methyltriazol-4-yl)-1-(4-fluorophenyl)ethanol
CID 106461067
1-(5-Bromo-3-methyltriazol-4-yl)-1-(3-fluorophenyl)ethanol
CID 106461068
1-(5-Bromo-3-methyltriazol-4-yl)-1-(2-fluorophenyl)ethanol
CID 106461069
(5-Bromo-3-methyltriazol-4-yl)-(4-fluorophenyl)methanol
CID 106461153
(5-Bromo-3-methyltriazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
CID 106461157
(5-Bromo-3-methyltriazol-4-yl)-(2-fluorophenyl)methanol
CID 106461162
(5-Bromo-3-methyltriazol-4-yl)-(3-fluorophenyl)methanol
CID 106461163
(5-Bromo-3-methyltriazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 106461164

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol (CID 106461180) is (5-bromo-2-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol is Cn1nnc(Br)c1C(O)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol?
The InChIKey is PDJBXNKHVSONKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2FN3O/c1-16-8(10(12)14-15-16)9(17)6-4-5(11)2-3-7(6)13/h2-4,9,17H,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol?
(5-bromo-2-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol has a molecular weight of 365.00 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 106461180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).