(3-chloro-6-hydrazinyl-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

C11H15ClN4O2 — CID 103358349

IUPAC(3-chloro-6-hydrazinyl-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2nc(NN)ccc2Cl)C1
InChIInChI=1S/C11H15ClN4O2/c1-11(18)4-5-16(6-11)10(17)9-7(12)2-3-8(14-9)15-13/h2-3,18H,4-6,13H2,1H3,(H,14,15)
InChIKeyQGHICOCXHUWKCT-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.62
Rot. Bonds2

About (3-chloro-6-hydrazinyl-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

(3-chloro-6-hydrazinyl-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (PubChem CID 103358349) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is (3-chloro-6-hydrazinyl-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-6-hydrazinyl-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
PubChem CID103358349
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name(3-chloro-6-hydrazinyl-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2nc(NN)ccc2Cl)C1
InChIInChI=1S/C11H15ClN4O2/c1-11(18)4-5-16(6-11)10(17)9-7(12)2-3-8(14-9)15-13/h2-3,18H,4-6,13H2,1H3,(H,14,15)
InChIKeyQGHICOCXHUWKCT-UHFFFAOYSA-N
XLogP0.62
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.62
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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Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-hydrazinyl-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-chloro-6-hydrazinyl-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (CID 103358349) is (3-chloro-6-hydrazinyl-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-chloro-6-hydrazinyl-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-chloro-6-hydrazinyl-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is CC1(O)CCN(C(=O)c2nc(NN)ccc2Cl)C1.
What is the InChIKey of (3-chloro-6-hydrazinyl-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The InChIKey is QGHICOCXHUWKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-11(18)4-5-16(6-11)10(17)9-7(12)2-3-8(14-9)15-13/h2-3,18H,4-6,13H2,1H3,(H,14,15).
What are the key properties of (3-chloro-6-hydrazinyl-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
(3-chloro-6-hydrazinyl-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone has a molecular weight of 270.72 g/mol, XLogP of 0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-hydrazinyl-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103358349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).