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

C10H8Br2FN3O — CID 106461184

IUPAC(3-bromo-4-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
SMILESCn1nnc(Br)c1C(O)c1ccc(F)c(Br)c1
InChIInChI=1S/C10H8Br2FN3O/c1-16-8(10(12)14-15-16)9(17)5-2-3-7(13)6(11)4-5/h2-4,9,17H,1H3
InChIKeyRHNFCPRQIUXAHK-UHFFFAOYSA-N
MW365.00 g/mol
LogP2.56
Rot. Bonds2

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

(3-bromo-4-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol (PubChem CID 106461184) has the molecular formula C10H8Br2FN3O and a molecular weight of 365.00 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
PubChem CID106461184
Molecular FormulaC10H8Br2FN3O
Molecular Weight365.00 g/mol
Exact Mass362.90
IUPAC Name(3-bromo-4-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
SMILESCn1nnc(Br)c1C(O)c1ccc(F)c(Br)c1
InChIInChI=1S/C10H8Br2FN3O/c1-16-8(10(12)14-15-16)9(17)5-2-3-7(13)6(11)4-5/h2-4,9,17H,1H3
InChIKeyRHNFCPRQIUXAHK-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

(5-bromo-3-methyltriazol-4-yl)-(4-chlorophenyl)methanol
CID 106461142
(5-bromo-3-methyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanol
CID 106465474
(5-bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 106461185
(5-bromo-3-methyltriazol-4-yl)-(4-fluoro-2-iodophenyl)methanol
CID 114030491
(4-bromo-5-chlorothiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461442
(5-bromo-3-methyltriazol-4-yl)-(2-fluoro-3-methylphenyl)methanol
CID 106465421
(3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol
CID 79746542
(3-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol
CID 114635000
(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
CID 106465440
(5-bromo-3-methyltriazol-4-yl)-(3,5-dibromo-2-pyridinyl)methanol
CID 106461393
(5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol
CID 106461135
1-(5-bromo-3-methyltriazol-4-yl)-2-(4-fluorophenyl)-2-methylpropan-1-ol
CID 106461840

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol?
The IUPAC name of (3-bromo-4-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol (CID 106461184) is (3-bromo-4-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol is Cn1nnc(Br)c1C(O)c1ccc(F)c(Br)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol?
The InChIKey is RHNFCPRQIUXAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2FN3O/c1-16-8(10(12)14-15-16)9(17)5-2-3-7(13)6(11)4-5/h2-4,9,17H,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol?
(3-bromo-4-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 (3-bromo-4-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 106461184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).