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

C11H15ClN4O2 — CID 62247878

IUPAC(3-chloro-6-hydrazinyl-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESNNc1ccc(Cl)c(C(=O)N2CCCC2CO)n1
InChIInChI=1S/C11H15ClN4O2/c12-8-3-4-9(15-13)14-10(8)11(18)16-5-1-2-7(16)6-17/h3-4,7,17H,1-2,5-6,13H2,(H,14,15)
InChIKeySXGJRVIADGKHFW-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.62
Rot. Bonds3

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

(3-chloro-6-hydrazinyl-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 62247878) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is (3-chloro-6-hydrazinyl-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-6-hydrazinyl-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID62247878
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name(3-chloro-6-hydrazinyl-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESNNc1ccc(Cl)c(C(=O)N2CCCC2CO)n1
InChIInChI=1S/C11H15ClN4O2/c12-8-3-4-9(15-13)14-10(8)11(18)16-5-1-2-7(16)6-17/h3-4,7,17H,1-2,5-6,13H2,(H,14,15)
InChIKeySXGJRVIADGKHFW-UHFFFAOYSA-N
XLogP0.62
TPSA91.48 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 ≤ 50.62
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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Related Compounds

[3-chloro-6-(ethylamino)-2-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 55042109
[3-chloro-6-(methylamino)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62890107
azocan-1-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone
CID 55052791
(3-chloro-6-hydrazinyl-2-pyridinyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 114086990
(3-chloro-6-hydrazinyl-2-pyridinyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone
CID 112734555
8-azaspiro[4.5]decan-8-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone
CID 63162277
(3-chloro-6-hydrazinyl-2-pyridinyl)-(4-methoxypiperidin-1-yl)methanone
CID 62241557
[1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]piperidin-2-yl]methanol
CID 62890632
(2,6-dichloro-4-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104955470
(3-chloro-2-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107097816
(2-amino-3,5-dichlorophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 11748246
(4-chloro-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 81225917

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-hydrazinyl-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-chloro-6-hydrazinyl-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 62247878) is (3-chloro-6-hydrazinyl-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-6-hydrazinyl-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-chloro-6-hydrazinyl-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone is NNc1ccc(Cl)c(C(=O)N2CCCC2CO)n1.
What is the InChIKey of (3-chloro-6-hydrazinyl-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is SXGJRVIADGKHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c12-8-3-4-9(15-13)14-10(8)11(18)16-5-1-2-7(16)6-17/h3-4,7,17H,1-2,5-6,13H2,(H,14,15).
What are the key properties of (3-chloro-6-hydrazinyl-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(3-chloro-6-hydrazinyl-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 270.72 g/mol, XLogP of 0.62, 3 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)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 62247878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).