4-imino-3,5-dihydro-2H-pyridin-2-ol

C5H8N2O — CID 123794721

IUPAC4-imino-3,5-dihydro-2H-pyridin-2-ol
SMILES[H]/N=C1\CC=NC(O)C1
InChIInChI=1S/C5H8N2O/c6-4-1-2-7-5(8)3-4/h2,5-6,8H,1,3H2/b6-4+
InChIKeyDYGXHTYCZRPNJD-GQCTYLIASA-N
MW112.13 g/mol
LogP0.19
Rot. Bonds

About 4-imino-3,5-dihydro-2H-pyridin-2-ol

4-imino-3,5-dihydro-2H-pyridin-2-ol (PubChem CID 123794721) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 4-imino-3,5-dihydro-2H-pyridin-2-ol.

Molecular Properties

Compound Name4-imino-3,5-dihydro-2H-pyridin-2-ol
PubChem CID123794721
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name4-imino-3,5-dihydro-2H-pyridin-2-ol
SMILES[H]/N=C1\CC=NC(O)C1
InChIInChI=1S/C5H8N2O/c6-4-1-2-7-5(8)3-4/h2,5-6,8H,1,3H2/b6-4+
InChIKeyDYGXHTYCZRPNJD-GQCTYLIASA-N
XLogP0.19
TPSA56.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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(1S)-3-iminocyclopentane-1-carboxylic acid
CID 138456917
(6S)-6-methyl-3-propanimidoylcyclohept-3-en-1-imine
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CID 176955658
3-ethanimidoyl-4-hydroxycyclopentan-1-one
CID 123651904
5-(2-cyclopropylethynyl)-5-(trifluoromethyl)cyclohex-3-en-1-imine
CID 91159993
cyclooct-3-en-1-imine
CID 91001095
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CID 67757658
5-methyl-3H-pyridin-4-imine
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Frequently Asked Questions

What is the IUPAC name of 4-imino-3,5-dihydro-2H-pyridin-2-ol?
The IUPAC name of 4-imino-3,5-dihydro-2H-pyridin-2-ol (CID 123794721) is 4-imino-3,5-dihydro-2H-pyridin-2-ol.
What is the SMILES notation for 4-imino-3,5-dihydro-2H-pyridin-2-ol?
The canonical SMILES for 4-imino-3,5-dihydro-2H-pyridin-2-ol is [H]/N=C1\CC=NC(O)C1.
What is the InChIKey of 4-imino-3,5-dihydro-2H-pyridin-2-ol?
The InChIKey is DYGXHTYCZRPNJD-GQCTYLIASA-N. The full InChI is InChI=1S/C5H8N2O/c6-4-1-2-7-5(8)3-4/h2,5-6,8H,1,3H2/b6-4+.
What are the key properties of 4-imino-3,5-dihydro-2H-pyridin-2-ol?
4-imino-3,5-dihydro-2H-pyridin-2-ol has a molecular weight of 112.13 g/mol, XLogP of 0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-3,5-dihydro-2H-pyridin-2-ol is sourced from PubChem (CID 123794721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).