2,6-dibromo-4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol

C13H13Br2N3O — CID 136781793

IUPAC2,6-dibromo-4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol
SMILESCN1CCc2[nH]nc(-c3cc(Br)c(O)c(Br)c3)c2C1
InChIInChI=1S/C13H13Br2N3O/c1-18-3-2-11-8(6-18)12(17-16-11)7-4-9(14)13(19)10(15)5-7/h4-5,19H,2-3,6H2,1H3,(H,16,17)
InChIKeyISLCKHNACUZJII-UHFFFAOYSA-N
MW387.08 g/mol
LogP3.30
Rot. Bonds1

About 2,6-dibromo-4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol

2,6-dibromo-4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol (PubChem CID 136781793) has the molecular formula C13H13Br2N3O and a molecular weight of 387.08 g/mol. Its IUPAC name is 2,6-dibromo-4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol.

Molecular Properties

Compound Name2,6-dibromo-4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol
PubChem CID136781793
Molecular FormulaC13H13Br2N3O
Molecular Weight387.08 g/mol
Exact Mass384.94
IUPAC Name2,6-dibromo-4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol
SMILESCN1CCc2[nH]nc(-c3cc(Br)c(O)c(Br)c3)c2C1
InChIInChI=1S/C13H13Br2N3O/c1-18-3-2-11-8(6-18)12(17-16-11)7-4-9(14)13(19)10(15)5-7/h4-5,19H,2-3,6H2,1H3,(H,16,17)
InChIKeyISLCKHNACUZJII-UHFFFAOYSA-N
XLogP3.30
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.08
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol?
The IUPAC name of 2,6-dibromo-4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol (CID 136781793) is 2,6-dibromo-4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol.
What is the SMILES notation for 2,6-dibromo-4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol?
The canonical SMILES for 2,6-dibromo-4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol is CN1CCc2[nH]nc(-c3cc(Br)c(O)c(Br)c3)c2C1.
What is the InChIKey of 2,6-dibromo-4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol?
The InChIKey is ISLCKHNACUZJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N3O/c1-18-3-2-11-8(6-18)12(17-16-11)7-4-9(14)13(19)10(15)5-7/h4-5,19H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 2,6-dibromo-4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol?
2,6-dibromo-4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol has a molecular weight of 387.08 g/mol, XLogP of 3.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol is sourced from PubChem (CID 136781793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).