N'-[(3-hydroxy-2-pyridinyl)methyl]ethanimidamide

C8H11N3O — CID 131176747

IUPACN'-[(3-hydroxy-2-pyridinyl)methyl]ethanimidamide
SMILESC/C(N)=N\Cc1ncccc1O
InChIInChI=1S/C8H11N3O/c1-6(9)11-5-7-8(12)3-2-4-10-7/h2-4,12H,5H2,1H3,(H2,9,11)
InChIKeyOJZOPIYINPCXKV-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.66
Rot. Bonds2

About N'-[(3-hydroxy-2-pyridinyl)methyl]ethanimidamide

N'-[(3-hydroxy-2-pyridinyl)methyl]ethanimidamide (PubChem CID 131176747) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is N'-[(3-hydroxy-2-pyridinyl)methyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(3-hydroxy-2-pyridinyl)methyl]ethanimidamide
PubChem CID131176747
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC NameN'-[(3-hydroxy-2-pyridinyl)methyl]ethanimidamide
SMILESC/C(N)=N\Cc1ncccc1O
InChIInChI=1S/C8H11N3O/c1-6(9)11-5-7-8(12)3-2-4-10-7/h2-4,12H,5H2,1H3,(H2,9,11)
InChIKeyOJZOPIYINPCXKV-UHFFFAOYSA-N
XLogP0.66
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(3-hydroxy-2-pyridinyl)ethanimidamide
CID 10351864
2-(2-hydroxyethyl)pyridin-3-ol
CID 73011239
2-(2-methoxyethyl)pyridin-3-ol
CID 119087382
(3-hydroxy-2-pyridinyl)methanesulfonamide
CID 69279601
1-ethyl-2-[(3-ethyl-2-pyridinyl)methyl]guanidine
CID 82739158
2-[(Z)-but-2-enyl]pyridin-3-ol;ethane;(Z)-prop-1-ene-1,2-diol
CID 142965144
1,1,3,3-tetramethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 111802438
N'-(1H-imidazol-2-ylmethyl)ethanimidamide
CID 64523221
N'-[(3-ethyl-2-pyridinyl)methyl]cyclopentanecarboximidamide
CID 82753773
(3-hydroxy-2-pyridinyl)methyl-trimethylazanium;acetate;bromide
CID 23622310
2-[(2R)-2-amino-3-hydroxypropyl]pyridin-3-ol;hydrochloride
CID 162337184
N'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide
CID 111802374

Frequently Asked Questions

What is the IUPAC name of N'-[(3-hydroxy-2-pyridinyl)methyl]ethanimidamide?
The IUPAC name of N'-[(3-hydroxy-2-pyridinyl)methyl]ethanimidamide (CID 131176747) is N'-[(3-hydroxy-2-pyridinyl)methyl]ethanimidamide.
What is the SMILES notation for N'-[(3-hydroxy-2-pyridinyl)methyl]ethanimidamide?
The canonical SMILES for N'-[(3-hydroxy-2-pyridinyl)methyl]ethanimidamide is C/C(N)=N\Cc1ncccc1O.
What is the InChIKey of N'-[(3-hydroxy-2-pyridinyl)methyl]ethanimidamide?
The InChIKey is OJZOPIYINPCXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6(9)11-5-7-8(12)3-2-4-10-7/h2-4,12H,5H2,1H3,(H2,9,11).
What are the key properties of N'-[(3-hydroxy-2-pyridinyl)methyl]ethanimidamide?
N'-[(3-hydroxy-2-pyridinyl)methyl]ethanimidamide has a molecular weight of 165.20 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-hydroxy-2-pyridinyl)methyl]ethanimidamide is sourced from PubChem (CID 131176747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).