1-hydroxy-3-methylpyridin-2-imine

C6H8N2O — CID 580017

IUPAC1-hydroxy-3-methylpyridin-2-imine
SMILES[H]/N=c1\c(C)cccn1O
InChIInChI=1S/C6H8N2O/c1-5-3-2-4-8(9)6(5)7/h2-4,7,9H,1H3/b7-6+
InChIKeyMMXCTCKYXGIWLV-VOTSOKGWSA-N
MW124.14 g/mol
LogP0.51
Rot. Bonds

About 1-hydroxy-3-methylpyridin-2-imine

1-hydroxy-3-methylpyridin-2-imine (PubChem CID 580017) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 1-hydroxy-3-methylpyridin-2-imine.

Molecular Properties

Compound Name1-hydroxy-3-methylpyridin-2-imine
PubChem CID580017
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name1-hydroxy-3-methylpyridin-2-imine
SMILES[H]/N=c1\c(C)cccn1O
InChIInChI=1S/C6H8N2O/c1-5-3-2-4-8(9)6(5)7/h2-4,7,9H,1H3/b7-6+
InChIKeyMMXCTCKYXGIWLV-VOTSOKGWSA-N
XLogP0.51
TPSA49.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methylpyridin-2-imine?
The IUPAC name of 1-hydroxy-3-methylpyridin-2-imine (CID 580017) is 1-hydroxy-3-methylpyridin-2-imine.
What is the SMILES notation for 1-hydroxy-3-methylpyridin-2-imine?
The canonical SMILES for 1-hydroxy-3-methylpyridin-2-imine is [H]/N=c1\c(C)cccn1O.
What is the InChIKey of 1-hydroxy-3-methylpyridin-2-imine?
The InChIKey is MMXCTCKYXGIWLV-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H8N2O/c1-5-3-2-4-8(9)6(5)7/h2-4,7,9H,1H3/b7-6+.
What are the key properties of 1-hydroxy-3-methylpyridin-2-imine?
1-hydroxy-3-methylpyridin-2-imine has a molecular weight of 124.14 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methylpyridin-2-imine is sourced from PubChem (CID 580017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).