(5-bromo-3-methyltriazol-4-yl)-(3,5-dibromo-2-pyridinyl)methanol

C9H7Br3N4O — CID 106461393

IUPAC(5-bromo-3-methyltriazol-4-yl)-(3,5-dibromo-2-pyridinyl)methanol
SMILESCn1nnc(Br)c1C(O)c1ncc(Br)cc1Br
InChIInChI=1S/C9H7Br3N4O/c1-16-7(9(12)14-15-16)8(17)6-5(11)2-4(10)3-13-6/h2-3,8,17H,1H3
InChIKeyVTMRPAJGBKQVCD-UHFFFAOYSA-N
MW426.89 g/mol
LogP2.58
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-(3,5-dibromo-2-pyridinyl)methanol

(5-bromo-3-methyltriazol-4-yl)-(3,5-dibromo-2-pyridinyl)methanol (PubChem CID 106461393) has the molecular formula C9H7Br3N4O and a molecular weight of 426.89 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(3,5-dibromo-2-pyridinyl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(3,5-dibromo-2-pyridinyl)methanol
PubChem CID106461393
Molecular FormulaC9H7Br3N4O
Molecular Weight426.89 g/mol
Exact Mass423.82
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(3,5-dibromo-2-pyridinyl)methanol
SMILESCn1nnc(Br)c1C(O)c1ncc(Br)cc1Br
InChIInChI=1S/C9H7Br3N4O/c1-16-7(9(12)14-15-16)8(17)6-5(11)2-4(10)3-13-6/h2-3,8,17H,1H3
InChIKeyVTMRPAJGBKQVCD-UHFFFAOYSA-N
XLogP2.58
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.89
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-5-chlorothiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461442
(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)-(1,3-thiazol-2-yl)methanol
CID 106461391
(5-bromo-3-methyltriazol-4-yl)-(4-chlorophenyl)methanol
CID 106461142
(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
(5-bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 106461185
(7-bromo-1-benzofuran-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106465645
(5-bromo-3-methyltriazol-4-yl)-(4-fluoro-2-iodophenyl)methanol
CID 114030491
(5-bromo-3-methyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanol
CID 106465474
(5-bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol
CID 106461139

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(3,5-dibromo-2-pyridinyl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(3,5-dibromo-2-pyridinyl)methanol (CID 106461393) is (5-bromo-3-methyltriazol-4-yl)-(3,5-dibromo-2-pyridinyl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(3,5-dibromo-2-pyridinyl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(3,5-dibromo-2-pyridinyl)methanol is Cn1nnc(Br)c1C(O)c1ncc(Br)cc1Br.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(3,5-dibromo-2-pyridinyl)methanol?
The InChIKey is VTMRPAJGBKQVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br3N4O/c1-16-7(9(12)14-15-16)8(17)6-5(11)2-4(10)3-13-6/h2-3,8,17H,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(3,5-dibromo-2-pyridinyl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(3,5-dibromo-2-pyridinyl)methanol has a molecular weight of 426.89 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(3,5-dibromo-2-pyridinyl)methanol is sourced from PubChem (CID 106461393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).