3-chloro-N'-hydroxy-2-(3-hydroxypropoxy)pyridine-4-carboximidamide

C9H12ClN3O3 — CID 136739694

IUPAC3-chloro-N'-hydroxy-2-(3-hydroxypropoxy)pyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(OCCCO)c1Cl
InChIInChI=1S/C9H12ClN3O3/c10-7-6(8(11)13-15)2-3-12-9(7)16-5-1-4-14/h2-3,14-15H,1,4-5H2,(H2,11,13)
InChIKeyLYINSYIAMMNRFJ-UHFFFAOYSA-N
MW245.67 g/mol
LogP0.59
Rot. Bonds5

About 3-chloro-N'-hydroxy-2-(3-hydroxypropoxy)pyridine-4-carboximidamide

3-chloro-N'-hydroxy-2-(3-hydroxypropoxy)pyridine-4-carboximidamide (PubChem CID 136739694) has the molecular formula C9H12ClN3O3 and a molecular weight of 245.67 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-2-(3-hydroxypropoxy)pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-2-(3-hydroxypropoxy)pyridine-4-carboximidamide
PubChem CID136739694
Molecular FormulaC9H12ClN3O3
Molecular Weight245.67 g/mol
Exact Mass245.06
IUPAC Name3-chloro-N'-hydroxy-2-(3-hydroxypropoxy)pyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(OCCCO)c1Cl
InChIInChI=1S/C9H12ClN3O3/c10-7-6(8(11)13-15)2-3-12-9(7)16-5-1-4-14/h2-3,14-15H,1,4-5H2,(H2,11,13)
InChIKeyLYINSYIAMMNRFJ-UHFFFAOYSA-N
XLogP0.59
TPSA100.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(2-cyclobutylethoxy)-N'-hydroxypyridine-4-carboximidamide
CID 137011760
3-chloro-2-[(2-chlorophenyl)methoxy]-N'-hydroxypyridine-4-carboximidamide
CID 136739641
3-chloro-N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboximidamide
CID 136739684
3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide
CID 136739755
3-chloro-2-(2-hydroxyethoxy)pyridine-4-carboxylic acid
CID 107063382
2-(3-bromophenoxy)-3-chloro-N'-hydroxypyridine-4-carboximidamide
CID 136739624
3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyridine-4-carboximidamide
CID 136739765
3-chloro-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-4-carboximidamide
CID 136739315
3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739406
3-chloro-N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carboximidamide
CID 137006825
3-chloro-2-octoxypyridine-4-carboximidamide
CID 107060534
3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide
CID 136739877

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-2-(3-hydroxypropoxy)pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-2-(3-hydroxypropoxy)pyridine-4-carboximidamide (CID 136739694) is 3-chloro-N'-hydroxy-2-(3-hydroxypropoxy)pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-2-(3-hydroxypropoxy)pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-2-(3-hydroxypropoxy)pyridine-4-carboximidamide is N/C(=N/O)c1ccnc(OCCCO)c1Cl.
What is the InChIKey of 3-chloro-N'-hydroxy-2-(3-hydroxypropoxy)pyridine-4-carboximidamide?
The InChIKey is LYINSYIAMMNRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3/c10-7-6(8(11)13-15)2-3-12-9(7)16-5-1-4-14/h2-3,14-15H,1,4-5H2,(H2,11,13).
What are the key properties of 3-chloro-N'-hydroxy-2-(3-hydroxypropoxy)pyridine-4-carboximidamide?
3-chloro-N'-hydroxy-2-(3-hydroxypropoxy)pyridine-4-carboximidamide has a molecular weight of 245.67 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-2-(3-hydroxypropoxy)pyridine-4-carboximidamide is sourced from PubChem (CID 136739694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).