4-bromo-5-isocyano-2,6-dimethylpyridin-3-ol

C8H7BrN2O — CID 159883937

IUPAC4-bromo-5-isocyano-2,6-dimethylpyridin-3-ol
SMILES[C-]#[N+]c1c(C)nc(C)c(O)c1Br
InChIInChI=1S/C8H7BrN2O/c1-4-7(10-3)6(9)8(12)5(2)11-4/h12H,1-2H3
InChIKeyOYXSLZOPXCQEBI-UHFFFAOYSA-N
MW227.06 g/mol
LogP2.72
Rot. Bonds

About 4-bromo-5-isocyano-2,6-dimethylpyridin-3-ol

4-bromo-5-isocyano-2,6-dimethylpyridin-3-ol (PubChem CID 159883937) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 4-bromo-5-isocyano-2,6-dimethylpyridin-3-ol.

Molecular Properties

Compound Name4-bromo-5-isocyano-2,6-dimethylpyridin-3-ol
PubChem CID159883937
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name4-bromo-5-isocyano-2,6-dimethylpyridin-3-ol
SMILES[C-]#[N+]c1c(C)nc(C)c(O)c1Br
InChIInChI=1S/C8H7BrN2O/c1-4-7(10-3)6(9)8(12)5(2)11-4/h12H,1-2H3
InChIKeyOYXSLZOPXCQEBI-UHFFFAOYSA-N
XLogP2.72
TPSA37.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-isocyano-4-methylpyridin-3-ol
CID 176877083
4-isocyano-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 176758527
7-isocyano-4,6-dimethylfuro[3,2-c]pyridine
CID 176758490
7-isocyano-4,6-dimethyl-1,3-dihydrothieno[3,4-c]pyridine
CID 176758444
5-bromo-2-isocyano-1,3-dimethylbenzene
CID 53429695
8-isocyano-5,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine
CID 176758388
2,3,5,7-tetramethylpyrido[3,4-b]pyrazin-8-ol
CID 135612237
3,5-dibromo-4-isocyanopyridine
CID 140746636
4,6-dimethyl-2-propan-2-ylpyrimidin-5-ol
CID 15584112
2-bromo-6-isocyano-5-methylimidazo[2,1-a]isoquinoline
CID 123822449
5-isocyano-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 59096538
7-chloro-6-isocyano-5-methylpyrazolo[1,5-a]pyrimidine
CID 58314348

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-isocyano-2,6-dimethylpyridin-3-ol?
The IUPAC name of 4-bromo-5-isocyano-2,6-dimethylpyridin-3-ol (CID 159883937) is 4-bromo-5-isocyano-2,6-dimethylpyridin-3-ol.
What is the SMILES notation for 4-bromo-5-isocyano-2,6-dimethylpyridin-3-ol?
The canonical SMILES for 4-bromo-5-isocyano-2,6-dimethylpyridin-3-ol is [C-]#[N+]c1c(C)nc(C)c(O)c1Br.
What is the InChIKey of 4-bromo-5-isocyano-2,6-dimethylpyridin-3-ol?
The InChIKey is OYXSLZOPXCQEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c1-4-7(10-3)6(9)8(12)5(2)11-4/h12H,1-2H3.
What are the key properties of 4-bromo-5-isocyano-2,6-dimethylpyridin-3-ol?
4-bromo-5-isocyano-2,6-dimethylpyridin-3-ol has a molecular weight of 227.06 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-isocyano-2,6-dimethylpyridin-3-ol is sourced from PubChem (CID 159883937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).