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

C14H15BrN4O — CID 145002427

IUPAC[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;ethane
SMILESCC.OCc1ccnc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C12H9BrN4O.C2H6/c13-9-2-1-8-6-15-17(11(8)5-9)12-14-4-3-10(7-18)16-12;1-2/h1-6,18H,7H2;1-2H3
InChIKeyPXFNXRWQJYQRHA-UHFFFAOYSA-N
MW335.21 g/mol
LogP3.10
Rot. Bonds2

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

[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;ethane (PubChem CID 145002427) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;ethane.

Molecular Properties

Compound Name[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;ethane
PubChem CID145002427
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;ethane
SMILESCC.OCc1ccnc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C12H9BrN4O.C2H6/c13-9-2-1-8-6-15-17(11(8)5-9)12-14-4-3-10(7-18)16-12;1-2/h1-6,18H,7H2;1-2H3
InChIKeyPXFNXRWQJYQRHA-UHFFFAOYSA-N
XLogP3.10
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(6-Bromo-4-fluoro-1H-indazol-1-yl)-2-pyridinemethanol
CID 118663841
[1-(3-Bromobenzyl)-1H-pyrazol-3-yl](4-chloropyrimidin-5-yl)methanol
CID 117780832
(6-Bromo-4-fluoroindazol-1-yl)-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol
CID 118663626
[1-(3-Bromophenyl)-5-fluoropyrazolo[5,4-b]pyridin-3-yl]-methoxymethanol
CID 129155381
6-Bromo-1-[4-(trifluoromethyl)pyrimidin-2-yl]indazole
CID 130248830
6-Bromo-1-(6-(((tert-butyldimethylsilyl)oxy)methyl)pyridin-2-yl)-4-fluoro-1H-indazole
CID 140798336
1-[1-[5-(2-Fluorophenyl)pyrimidin-2-yl]indazol-3-yl]ethanol
CID 175067715
(3-Fluoro-2-indazol-1-yl-4-pyridinyl)methanol
CID 105383216
4-(6-bromo-1H-indazol-1-yl)pyrimidin-2-amine
CID 68181591
2-[1-(2-Aminopyrimidin-4-yl)-6-bromoindazol-3-yl]propan-2-ol
CID 68181837
[1-(2-aminopyrimidin-4-yl)-6-bromo-1H-indazol-3-yl]methanol
CID 68181849
4-(6-bromo-3-methyl-1H-indazol-1-yl)pyrimidin-2-amine
CID 68181865

Frequently Asked Questions

What is the IUPAC name of [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;ethane?
The IUPAC name of [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;ethane (CID 145002427) is [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;ethane.
What is the SMILES notation for [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;ethane?
The canonical SMILES for [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;ethane is CC.OCc1ccnc(-n2ncc3ccc(Br)cc32)n1.
What is the InChIKey of [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;ethane?
The InChIKey is PXFNXRWQJYQRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O.C2H6/c13-9-2-1-8-6-15-17(11(8)5-9)12-14-4-3-10(7-18)16-12;1-2/h1-6,18H,7H2;1-2H3.
What are the key properties of [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;ethane?
[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methanol;ethane has a molecular weight of 335.21 g/mol, XLogP of 3.10, 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;ethane is sourced from PubChem (CID 145002427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).