6-isocyano-4-methylpyridin-3-ol

C7H6N2O — CID 159621023

IUPAC6-isocyano-4-methylpyridin-3-ol
SMILES[C-]#[N+]c1cc(C)c(O)cn1
InChIInChI=1S/C7H6N2O/c1-5-3-7(8-2)9-4-6(5)10/h3-4,10H,1H3
InChIKeyUMWQTWHXBMHBMY-UHFFFAOYSA-N
MW134.14 g/mol
LogP1.65
Rot. Bonds

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

6-isocyano-4-methylpyridin-3-ol (PubChem CID 159621023) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 6-isocyano-4-methylpyridin-3-ol.

Molecular Properties

Compound Name6-isocyano-4-methylpyridin-3-ol
PubChem CID159621023
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name6-isocyano-4-methylpyridin-3-ol
SMILES[C-]#[N+]c1cc(C)c(O)cn1
InChIInChI=1S/C7H6N2O/c1-5-3-7(8-2)9-4-6(5)10/h3-4,10H,1H3
InChIKeyUMWQTWHXBMHBMY-UHFFFAOYSA-N
XLogP1.65
TPSA37.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 51.65
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

7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;7-chloro-5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;6-isocyano-4-methylpyridin-3-ol
CID 159621022
2-bromo-6-isocyano-4-methylpyridin-3-ol
CID 176877083
6-isocyanopyridin-3-ol
CID 46398147
3-chloro-6-isocyano-4-methylpyridazine
CID 159923111
2-isocyano-5-(3-methylbut-2-en-2-yl)pyridine
CID 59497743
6-isocyano-2,4-dimethyl-3-(trifluoromethyl)pyridine
CID 176832469
3-iodo-5-isocyano-2H-pyrazolo[3,4-c]pyridine
CID 59796935
4-[5-(4-hydroxy-3-methylphenyl)pyrazin-2-yl]-2-methylphenol
CID 139631822
5-bromo-2-isocyanopyridin-3-ol
CID 166591336
4-tert-butyl-2-isocyanopyridine
CID 58909438
3-isocyano-5-methyl-1,2-oxazole
CID 83478513
2-isocyano-6-methylpyrazine
CID 59273467

Frequently Asked Questions

What is the IUPAC name of 6-isocyano-4-methylpyridin-3-ol?
The IUPAC name of 6-isocyano-4-methylpyridin-3-ol (CID 159621023) is 6-isocyano-4-methylpyridin-3-ol.
What is the SMILES notation for 6-isocyano-4-methylpyridin-3-ol?
The canonical SMILES for 6-isocyano-4-methylpyridin-3-ol is [C-]#[N+]c1cc(C)c(O)cn1.
What is the InChIKey of 6-isocyano-4-methylpyridin-3-ol?
The InChIKey is UMWQTWHXBMHBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c1-5-3-7(8-2)9-4-6(5)10/h3-4,10H,1H3.
What are the key properties of 6-isocyano-4-methylpyridin-3-ol?
6-isocyano-4-methylpyridin-3-ol has a molecular weight of 134.14 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-isocyano-4-methylpyridin-3-ol is sourced from PubChem (CID 159621023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).