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

C12H9BrN4O — CID 118664624

IUPAC[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol
SMILESOCc1ccnc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C12H9BrN4O/c13-9-2-1-8-6-15-17(11(8)5-9)12-14-4-3-10(7-18)16-12/h1-6,18H,7H2
InChIKeyMWYDGIWPWJXVAS-UHFFFAOYSA-N
MW305.14 g/mol
LogP2.07
Rot. Bonds2

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

[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol (PubChem CID 118664624) has the molecular formula C12H9BrN4O and a molecular weight of 305.14 g/mol. Its IUPAC name is [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol
PubChem CID118664624
Molecular FormulaC12H9BrN4O
Molecular Weight305.14 g/mol
Exact Mass304.00
IUPAC Name[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol
SMILESOCc1ccnc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C12H9BrN4O/c13-9-2-1-8-6-15-17(11(8)5-9)12-14-4-3-10(7-18)16-12/h1-6,18H,7H2
InChIKeyMWYDGIWPWJXVAS-UHFFFAOYSA-N
XLogP2.07
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol?
The IUPAC name of [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol (CID 118664624) is [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol?
The canonical SMILES for [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol is OCc1ccnc(-n2ncc3ccc(Br)cc32)n1.
What is the InChIKey of [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol?
The InChIKey is MWYDGIWPWJXVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O/c13-9-2-1-8-6-15-17(11(8)5-9)12-14-4-3-10(7-18)16-12/h1-6,18H,7H2.
What are the key properties of [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol?
[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol has a molecular weight of 305.14 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol is sourced from PubChem (CID 118664624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).