(5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3-dihydroindol-1-yl)methanone

C14H13BrN4O — CID 62249938

IUPAC(5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
SMILESNNc1ncc(Br)cc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C14H13BrN4O/c15-10-7-11(13(18-16)17-8-10)14(20)19-6-5-9-3-1-2-4-12(9)19/h1-4,7-8H,5-6,16H2,(H,17,18)
InChIKeyQXEZPZNCNJIAMM-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.33
Rot. Bonds2

About (5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3-dihydroindol-1-yl)methanone

(5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 62249938) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is (5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID62249938
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name(5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
SMILESNNc1ncc(Br)cc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C14H13BrN4O/c15-10-7-11(13(18-16)17-8-10)14(20)19-6-5-9-3-1-2-4-12(9)19/h1-4,7-8H,5-6,16H2,(H,17,18)
InChIKeyQXEZPZNCNJIAMM-UHFFFAOYSA-N
XLogP2.33
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.33
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

2,3-dihydroindol-1-yl-(4-hydrazinyl-2-pyridinyl)methanone
CID 62249581
2,3-dihydroindol-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642375
5-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinylpyridine-3-carboxamide
CID 107854915
[2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133320455
(2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16795435
(5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 62238043
[5-chloro-2-(methylamino)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 114921920
(5-bromo-2-pyridinyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 62998701
(3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 107517784
(5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65307202
(3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 66462242
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3-dihydroindol-1-yl)methanone (CID 62249938) is (5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3-dihydroindol-1-yl)methanone is NNc1ncc(Br)cc1C(=O)N1CCc2ccccc21.
What is the InChIKey of (5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is QXEZPZNCNJIAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c15-10-7-11(13(18-16)17-8-10)14(20)19-6-5-9-3-1-2-4-12(9)19/h1-4,7-8H,5-6,16H2,(H,17,18).
What are the key properties of (5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3-dihydroindol-1-yl)methanone?
(5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 333.19 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 62249938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).