(5-bromo-3-methyltriazol-4-yl)-(4-fluoro-2-iodophenyl)methanol

C10H8BrFIN3O — CID 114030491

IUPAC(5-bromo-3-methyltriazol-4-yl)-(4-fluoro-2-iodophenyl)methanol
SMILESCn1nnc(Br)c1C(O)c1ccc(F)cc1I
InChIInChI=1S/C10H8BrFIN3O/c1-16-8(10(11)14-15-16)9(17)6-3-2-5(12)4-7(6)13/h2-4,9,17H,1H3
InChIKeyLPXZTNIANBACPP-UHFFFAOYSA-N
MW412.00 g/mol
LogP2.40
Rot. Bonds2

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

(5-bromo-3-methyltriazol-4-yl)-(4-fluoro-2-iodophenyl)methanol (PubChem CID 114030491) has the molecular formula C10H8BrFIN3O and a molecular weight of 412.00 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(4-fluoro-2-iodophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(4-fluoro-2-iodophenyl)methanol
PubChem CID114030491
Molecular FormulaC10H8BrFIN3O
Molecular Weight412.00 g/mol
Exact Mass410.89
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(4-fluoro-2-iodophenyl)methanol
SMILESCn1nnc(Br)c1C(O)c1ccc(F)cc1I
InChIInChI=1S/C10H8BrFIN3O/c1-16-8(10(11)14-15-16)9(17)6-3-2-5(12)4-7(6)13/h2-4,9,17H,1H3
InChIKeyLPXZTNIANBACPP-UHFFFAOYSA-N
XLogP2.40
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.00
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanol
CID 106465474
(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
CID 106465440
(5-bromo-3-methyltriazol-4-yl)-(2-fluoro-3-methylphenyl)methanol
CID 106465421
(2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461945
(3-bromo-4-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461184
(5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol
CID 106461135
(5-bromo-3-methyltriazol-4-yl)-(2,4,5-trimethoxyphenyl)methanol
CID 106461168
(4-bromophenyl)-(4-fluoro-2-iodophenyl)methanol
CID 114029441
1-(5-bromo-3-methyltriazol-4-yl)-2-(4-fluorophenyl)-2-methylpropan-1-ol
CID 106461840
(5-bromo-3-methyltriazol-4-yl)-(4-chlorophenyl)methanol
CID 106461142
N-[(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 106462267
(5-bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 106461185

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(4-fluoro-2-iodophenyl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(4-fluoro-2-iodophenyl)methanol (CID 114030491) is (5-bromo-3-methyltriazol-4-yl)-(4-fluoro-2-iodophenyl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(4-fluoro-2-iodophenyl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(4-fluoro-2-iodophenyl)methanol is Cn1nnc(Br)c1C(O)c1ccc(F)cc1I.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(4-fluoro-2-iodophenyl)methanol?
The InChIKey is LPXZTNIANBACPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFIN3O/c1-16-8(10(11)14-15-16)9(17)6-3-2-5(12)4-7(6)13/h2-4,9,17H,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(4-fluoro-2-iodophenyl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(4-fluoro-2-iodophenyl)methanol has a molecular weight of 412.00 g/mol, XLogP of 2.40, 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-fluoro-2-iodophenyl)methanol is sourced from PubChem (CID 114030491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).