2-bromo-6-isocyano-4-methylpyridin-3-ol

C7H5BrN2O — CID 176877083

IUPAC2-bromo-6-isocyano-4-methylpyridin-3-ol
SMILES[C-]#[N+]c1cc(C)c(O)c(Br)n1
InChIInChI=1S/C7H5BrN2O/c1-4-3-5(9-2)10-7(8)6(4)11/h3,11H,1H3
InChIKeyAMFIIVIBYTYOHU-UHFFFAOYSA-N
MW213.03 g/mol
LogP2.41
Rot. Bonds

About 2-bromo-6-isocyano-4-methylpyridin-3-ol

2-bromo-6-isocyano-4-methylpyridin-3-ol (PubChem CID 176877083) has the molecular formula C7H5BrN2O and a molecular weight of 213.03 g/mol. Its IUPAC name is 2-bromo-6-isocyano-4-methylpyridin-3-ol.

Molecular Properties

Compound Name2-bromo-6-isocyano-4-methylpyridin-3-ol
PubChem CID176877083
Molecular FormulaC7H5BrN2O
Molecular Weight213.03 g/mol
Exact Mass211.96
IUPAC Name2-bromo-6-isocyano-4-methylpyridin-3-ol
SMILES[C-]#[N+]c1cc(C)c(O)c(Br)n1
InChIInChI=1S/C7H5BrN2O/c1-4-3-5(9-2)10-7(8)6(4)11/h3,11H,1H3
InChIKeyAMFIIVIBYTYOHU-UHFFFAOYSA-N
XLogP2.41
TPSA37.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-isocyanopyridin-3-ol
CID 58054089
2-bromo-6-fluoro-4-methylpyridin-3-ol
CID 171795901
2-bromo-6-isocyano-3-methylpyridine
CID 59738836
6-isocyano-4-methylpyridin-3-ol
CID 159621023
4-bromo-5-isocyano-2,6-dimethylpyridin-3-ol
CID 159883937
2-bromo-5,6-dimethylpyridin-3-ol
CID 130119183
2-bromo-4,6-dimethylbenzene-1,3-diol
CID 130032305
2-isocyano-4,5,7-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 88934841
3-chloro-6-isocyano-4-methylpyridazine
CID 159923111
5-bromo-2-isocyano-1,3-dimethylbenzene
CID 53429695
2,6-dibromo-3,5-dimethylphenol
CID 10660357
6-bromo-2-iodo-5-methylpyridin-3-ol
CID 178150998

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-isocyano-4-methylpyridin-3-ol?
The IUPAC name of 2-bromo-6-isocyano-4-methylpyridin-3-ol (CID 176877083) is 2-bromo-6-isocyano-4-methylpyridin-3-ol.
What is the SMILES notation for 2-bromo-6-isocyano-4-methylpyridin-3-ol?
The canonical SMILES for 2-bromo-6-isocyano-4-methylpyridin-3-ol is [C-]#[N+]c1cc(C)c(O)c(Br)n1.
What is the InChIKey of 2-bromo-6-isocyano-4-methylpyridin-3-ol?
The InChIKey is AMFIIVIBYTYOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O/c1-4-3-5(9-2)10-7(8)6(4)11/h3,11H,1H3.
What are the key properties of 2-bromo-6-isocyano-4-methylpyridin-3-ol?
2-bromo-6-isocyano-4-methylpyridin-3-ol has a molecular weight of 213.03 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-isocyano-4-methylpyridin-3-ol is sourced from PubChem (CID 176877083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).