1,3-dihydroisoindol-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone

C14H13FN4O — CID 105388109

IUPAC1,3-dihydroisoindol-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
SMILESNNc1nccc(C(=O)N2Cc3ccccc3C2)c1F
InChIInChI=1S/C14H13FN4O/c15-12-11(5-6-17-13(12)18-16)14(20)19-7-9-3-1-2-4-10(9)8-19/h1-6H,7-8,16H2,(H,17,18)
InChIKeyBASNXBWLVCZSSA-UHFFFAOYSA-N
MW272.28 g/mol
LogP1.66
Rot. Bonds2

About 1,3-dihydroisoindol-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone

1,3-dihydroisoindol-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone (PubChem CID 105388109) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
PubChem CID105388109
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name1,3-dihydroisoindol-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
SMILESNNc1nccc(C(=O)N2Cc3ccccc3C2)c1F
InChIInChI=1S/C14H13FN4O/c15-12-11(5-6-17-13(12)18-16)14(20)19-7-9-3-1-2-4-10(9)8-19/h1-6H,7-8,16H2,(H,17,18)
InChIKeyBASNXBWLVCZSSA-UHFFFAOYSA-N
XLogP1.66
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3,4-dihydro-1H-isoquinolin-2-yl-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105384411
(3-fluoro-2-hydrazinyl-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 105388111
(4,4-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388301
(3-fluoro-2-hydrazinyl-4-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 105387751
3,4-dihydro-1H-isoquinolin-2-yl-(2-hydrazinyl-3-pyridinyl)methanone
CID 62248301
(3-fluoro-2-hydrazinyl-4-pyridinyl)-(4-propylpiperazin-1-yl)methanone
CID 105387852
3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388119
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388482
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388318
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388424
(3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
CID 105388188
1,3-dihydroisoindol-2-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 113436314

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone (CID 105388109) is 1,3-dihydroisoindol-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone is NNc1nccc(C(=O)N2Cc3ccccc3C2)c1F.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone?
The InChIKey is BASNXBWLVCZSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c15-12-11(5-6-17-13(12)18-16)14(20)19-7-9-3-1-2-4-10(9)8-19/h1-6H,7-8,16H2,(H,17,18).
What are the key properties of 1,3-dihydroisoindol-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone?
1,3-dihydroisoindol-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone has a molecular weight of 272.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone is sourced from PubChem (CID 105388109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).