2,6-dibromo-4-(3-phenylmethoxy-1,2,4-triazin-6-yl)phenol

C16H11Br2N3O2 — CID 135870423

IUPAC2,6-dibromo-4-(3-phenylmethoxy-1,2,4-triazin-6-yl)phenol
SMILESOc1c(Br)cc(-c2cnc(OCc3ccccc3)nn2)cc1Br
InChIInChI=1S/C16H11Br2N3O2/c17-12-6-11(7-13(18)15(12)22)14-8-19-16(21-20-14)23-9-10-4-2-1-3-5-10/h1-8,22H,9H2
InChIKeySCIXEHDJLZCMIN-UHFFFAOYSA-N
MW437.09 g/mol
LogP4.35
Rot. Bonds4

About 2,6-dibromo-4-(3-phenylmethoxy-1,2,4-triazin-6-yl)phenol

2,6-dibromo-4-(3-phenylmethoxy-1,2,4-triazin-6-yl)phenol (PubChem CID 135870423) has the molecular formula C16H11Br2N3O2 and a molecular weight of 437.09 g/mol. Its IUPAC name is 2,6-dibromo-4-(3-phenylmethoxy-1,2,4-triazin-6-yl)phenol.

Molecular Properties

Compound Name2,6-dibromo-4-(3-phenylmethoxy-1,2,4-triazin-6-yl)phenol
PubChem CID135870423
Molecular FormulaC16H11Br2N3O2
Molecular Weight437.09 g/mol
Exact Mass434.92
IUPAC Name2,6-dibromo-4-(3-phenylmethoxy-1,2,4-triazin-6-yl)phenol
SMILESOc1c(Br)cc(-c2cnc(OCc3ccccc3)nn2)cc1Br
InChIInChI=1S/C16H11Br2N3O2/c17-12-6-11(7-13(18)15(12)22)14-8-19-16(21-20-14)23-9-10-4-2-1-3-5-10/h1-8,22H,9H2
InChIKeySCIXEHDJLZCMIN-UHFFFAOYSA-N
XLogP4.35
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.09
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dichloro-4-[3-[(4-chlorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol
CID 135870512
4-[3-[2-(benzylamino)ethoxy]-1,2,4-triazin-6-yl]-2,6-dichlorophenol
CID 135870537
2-bromo-6-phenylmethoxyphenol
CID 67346586
5-bromo-3-phenylmethoxybenzene-1,2-diol
CID 86049780
6-bromo-4-phenylmethoxy-2-(2H-tetrazol-5-yl)pyridin-3-ol
CID 137215900
2,6-dibromo-4-[6-[2-(4-bromophenyl)ethoxy]pyridazin-3-yl]phenol
CID 135870333
3-bromo-5-phenylmethoxypyridine
CID 15389198
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]hydroxylamine
CID 117493046
1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene
CID 54361131
3-bromo-5-(4-phenylmethoxyphenyl)pyrazin-2-amine
CID 155906636
3-[3,5-bis(phenylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid
CID 4017523
2-bromo-4-methyl-5-phenylmethoxypyridine
CID 166661810

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-(3-phenylmethoxy-1,2,4-triazin-6-yl)phenol?
The IUPAC name of 2,6-dibromo-4-(3-phenylmethoxy-1,2,4-triazin-6-yl)phenol (CID 135870423) is 2,6-dibromo-4-(3-phenylmethoxy-1,2,4-triazin-6-yl)phenol.
What is the SMILES notation for 2,6-dibromo-4-(3-phenylmethoxy-1,2,4-triazin-6-yl)phenol?
The canonical SMILES for 2,6-dibromo-4-(3-phenylmethoxy-1,2,4-triazin-6-yl)phenol is Oc1c(Br)cc(-c2cnc(OCc3ccccc3)nn2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-(3-phenylmethoxy-1,2,4-triazin-6-yl)phenol?
The InChIKey is SCIXEHDJLZCMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2N3O2/c17-12-6-11(7-13(18)15(12)22)14-8-19-16(21-20-14)23-9-10-4-2-1-3-5-10/h1-8,22H,9H2.
What are the key properties of 2,6-dibromo-4-(3-phenylmethoxy-1,2,4-triazin-6-yl)phenol?
2,6-dibromo-4-(3-phenylmethoxy-1,2,4-triazin-6-yl)phenol has a molecular weight of 437.09 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-(3-phenylmethoxy-1,2,4-triazin-6-yl)phenol is sourced from PubChem (CID 135870423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).