3-chloro-N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carboximidamide

C11H15ClN4O2 — CID 137006825

IUPAC3-chloro-N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(N2CCCC2CO)c1Cl
InChIInChI=1S/C11H15ClN4O2/c12-9-8(10(13)15-18)3-4-14-11(9)16-5-1-2-7(16)6-17/h3-4,7,17-18H,1-2,5-6H2,(H2,13,15)
InChIKeyINAUUFVXBDGKRV-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.79
Rot. Bonds3

About 3-chloro-N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carboximidamide

3-chloro-N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carboximidamide (PubChem CID 137006825) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carboximidamide
PubChem CID137006825
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name3-chloro-N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(N2CCCC2CO)c1Cl
InChIInChI=1S/C11H15ClN4O2/c12-9-8(10(13)15-18)3-4-14-11(9)16-5-1-2-7(16)6-17/h3-4,7,17-18H,1-2,5-6H2,(H2,13,15)
InChIKeyINAUUFVXBDGKRV-UHFFFAOYSA-N
XLogP0.79
TPSA94.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxypyridine-4-carboximidamide
CID 136739447
3-chloro-N'-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide
CID 136739559
3-chloro-N'-hydroxy-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-4-carboximidamide
CID 136739516
2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-chloro-N'-hydroxypyridine-4-carboximidamide
CID 137006828
3-chloro-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxypyridine-4-carboximidamide
CID 136739363
3-chloro-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-4-carboximidamide
CID 136739315
N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
CID 77034286
N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylbenzenecarboximidamide
CID 76938795
3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide
CID 136739755
[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 106876337
2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboximidamide;hydrochloride
CID 82240615
[1-[3-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 61411243

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carboximidamide (CID 137006825) is 3-chloro-N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carboximidamide is N/C(=N/O)c1ccnc(N2CCCC2CO)c1Cl.
What is the InChIKey of 3-chloro-N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carboximidamide?
The InChIKey is INAUUFVXBDGKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c12-9-8(10(13)15-18)3-4-14-11(9)16-5-1-2-7(16)6-17/h3-4,7,17-18H,1-2,5-6H2,(H2,13,15).
What are the key properties of 3-chloro-N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carboximidamide?
3-chloro-N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carboximidamide has a molecular weight of 270.72 g/mol, XLogP of 0.79, 3 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-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carboximidamide is sourced from PubChem (CID 137006825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).