2,6-dibromo-4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenol

C12H9Br2FN2O — CID 107741109

IUPAC2,6-dibromo-4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenol
SMILESOc1c(Br)cc(CNc2cccc(F)n2)cc1Br
InChIInChI=1S/C12H9Br2FN2O/c13-8-4-7(5-9(14)12(8)18)6-16-11-3-1-2-10(15)17-11/h1-5,18H,6H2,(H,16,17)
InChIKeyCXHCPIBDNMBTDW-UHFFFAOYSA-N
MW376.02 g/mol
LogP4.06
Rot. Bonds3

About 2,6-dibromo-4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenol

2,6-dibromo-4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenol (PubChem CID 107741109) has the molecular formula C12H9Br2FN2O and a molecular weight of 376.02 g/mol. Its IUPAC name is 2,6-dibromo-4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenol
PubChem CID107741109
Molecular FormulaC12H9Br2FN2O
Molecular Weight376.02 g/mol
Exact Mass373.91
IUPAC Name2,6-dibromo-4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenol
SMILESOc1c(Br)cc(CNc2cccc(F)n2)cc1Br
InChIInChI=1S/C12H9Br2FN2O/c13-8-4-7(5-9(14)12(8)18)6-16-11-3-1-2-10(15)17-11/h1-5,18H,6H2,(H,16,17)
InChIKeyCXHCPIBDNMBTDW-UHFFFAOYSA-N
XLogP4.06
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.02
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-Bromo-2-(pyridin-2-ylaminomethyl)-phenol
CID 951491
1-(5-Bromo-2-pyridyl)-3-[2-(4-hydroxyphenyl)ethyl]thiourea
CID 3002300
2-(((5-Bromopyridin-2-yl)amino)methyl)phenol
CID 951194
2,4-Dibromo-6-[(pyridin-2-ylamino)methyl]phenol
CID 1865850
4-Bromo-2-[[(6-methylpyridin-2-yl)amino]methyl]phenol
CID 890096
2-[[(6-Bromo-2-pyridinyl)amino]methyl]-4-fluorophenol
CID 53250565
2-[1-[(6-Bromo-2-pyridinyl)amino]propyl]-4-fluorophenol
CID 53251231
(5-Bromo-6-fluoro-pyridin-2-yl)-(4-methoxy-benzyl)-amine
CID 57963064
2-[[(3-Bromo-2-pyridinyl)amino]methyl]-5-fluorophenol
CID 121001869
2,6-dibromo-4-[4-(4-fluorophenyl)-5-pyridin-4-yl-4,5-dihydro-1H-imidazol-2-yl]phenol
CID 135770651
2,6-Dibromo-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3901315
4-Bromo-2-{[(5-methylpyridin-2-yl)amino]methyl}phenol
CID 670660

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenol (CID 107741109) is 2,6-dibromo-4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenol is Oc1c(Br)cc(CNc2cccc(F)n2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenol?
The InChIKey is CXHCPIBDNMBTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FN2O/c13-8-4-7(5-9(14)12(8)18)6-16-11-3-1-2-10(15)17-11/h1-5,18H,6H2,(H,16,17).
What are the key properties of 2,6-dibromo-4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenol?
2,6-dibromo-4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenol has a molecular weight of 376.02 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 107741109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).