1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol

C13H11BrN4O — CID 130248816

IUPAC1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol
SMILESCC(O)c1ccnc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C13H11BrN4O/c1-8(19)11-4-5-15-13(17-11)18-12-6-10(14)3-2-9(12)7-16-18/h2-8,19H,1H3
InChIKeyZYBPJKRVNIWAOQ-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.63
Rot. Bonds2

About 1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol

1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol (PubChem CID 130248816) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is 1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol
PubChem CID130248816
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol
SMILESCC(O)c1ccnc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C13H11BrN4O/c1-8(19)11-4-5-15-13(17-11)18-12-6-10(14)3-2-9(12)7-16-18/h2-8,19H,1H3
InChIKeyZYBPJKRVNIWAOQ-UHFFFAOYSA-N
XLogP2.63
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol?
The IUPAC name of 1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol (CID 130248816) is 1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol.
What is the SMILES notation for 1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol?
The canonical SMILES for 1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol is CC(O)c1ccnc(-n2ncc3ccc(Br)cc32)n1.
What is the InChIKey of 1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol?
The InChIKey is ZYBPJKRVNIWAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c1-8(19)11-4-5-15-13(17-11)18-12-6-10(14)3-2-9(12)7-16-18/h2-8,19H,1H3.
What are the key properties of 1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol?
1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol has a molecular weight of 319.16 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol is sourced from PubChem (CID 130248816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).