(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

C12H17ClN4O2 — CID 102789360

IUPAC(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCC1CCN(C(=O)c2cnc(NN)c(Cl)c2)C1CO
InChIInChI=1S/C12H17ClN4O2/c1-7-2-3-17(10(7)6-18)12(19)8-4-9(13)11(16-14)15-5-8/h4-5,7,10,18H,2-3,6,14H2,1H3,(H,15,16)
InChIKeyJLLCYSSQRSOCEM-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.86
Rot. Bonds3

About (5-chloro-6-hydrazinyl-3-pyridinyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 102789360) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is (5-chloro-6-hydrazinyl-3-pyridinyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
PubChem CID102789360
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCC1CCN(C(=O)c2cnc(NN)c(Cl)c2)C1CO
InChIInChI=1S/C12H17ClN4O2/c1-7-2-3-17(10(7)6-18)12(19)8-4-9(13)11(16-14)15-5-8/h4-5,7,10,18H,2-3,6,14H2,1H3,(H,15,16)
InChIKeyJLLCYSSQRSOCEM-UHFFFAOYSA-N
XLogP0.86
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-6-hydrazinyl-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62233957
(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62890279
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102738443
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(3,4,5-trichloro-2-pyridinyl)methanone
CID 102785003
(5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55247680
N'-hydroxy-6-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyridine-3-carboximidamide
CID 102784290
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 102737812
5-[(2S,3R)-2-(hydroxymethyl)-3-methylpiperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 166262457
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[5-chloro-6-(methylamino)-3-pyridinyl]methanone
CID 82752372
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(5-chloro-6-hydrazinyl-3-pyridinyl)methanone
CID 62236710
(3,5-dichloro-2-iodophenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102784634
N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
CID 102785989

Frequently Asked Questions

What is the IUPAC name of (5-chloro-6-hydrazinyl-3-pyridinyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (5-chloro-6-hydrazinyl-3-pyridinyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (CID 102789360) is (5-chloro-6-hydrazinyl-3-pyridinyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-6-hydrazinyl-3-pyridinyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chloro-6-hydrazinyl-3-pyridinyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is CC1CCN(C(=O)c2cnc(NN)c(Cl)c2)C1CO.
What is the InChIKey of (5-chloro-6-hydrazinyl-3-pyridinyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is JLLCYSSQRSOCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-7-2-3-17(10(7)6-18)12(19)8-4-9(13)11(16-14)15-5-8/h4-5,7,10,18H,2-3,6,14H2,1H3,(H,15,16).
What are the key properties of (5-chloro-6-hydrazinyl-3-pyridinyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 284.75 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-hydrazinyl-3-pyridinyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 102789360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).