(3aR,7aR)-3,5-dibromo-3a,7a-dihydro-1H-indazole

C7H6Br2N2 — CID 99973090

IUPAC(3aR,7aR)-3,5-dibromo-3a,7a-dihydro-1H-indazole
SMILESBrC1=C[C@H]2C(Br)=NN[C@@H]2C=C1
InChIInChI=1S/C7H6Br2N2/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3,5-6,10H/t5-,6-/m1/s1
InChIKeyKVJQPTLKDVGGHZ-PHDIDXHHSA-N
MW277.95 g/mol
LogP2.13
Rot. Bonds

About (3aR,7aR)-3,5-dibromo-3a,7a-dihydro-1H-indazole

(3aR,7aR)-3,5-dibromo-3a,7a-dihydro-1H-indazole (PubChem CID 99973090) has the molecular formula C7H6Br2N2 and a molecular weight of 277.95 g/mol. Its IUPAC name is (3aR,7aR)-3,5-dibromo-3a,7a-dihydro-1H-indazole.

Molecular Properties

Compound Name(3aR,7aR)-3,5-dibromo-3a,7a-dihydro-1H-indazole
PubChem CID99973090
Molecular FormulaC7H6Br2N2
Molecular Weight277.95 g/mol
Exact Mass275.89
IUPAC Name(3aR,7aR)-3,5-dibromo-3a,7a-dihydro-1H-indazole
SMILESBrC1=C[C@H]2C(Br)=NN[C@@H]2C=C1
InChIInChI=1S/C7H6Br2N2/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3,5-6,10H/t5-,6-/m1/s1
InChIKeyKVJQPTLKDVGGHZ-PHDIDXHHSA-N
XLogP2.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.95
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-2-amino-6-(3-bromo-3a,7a-dihydro-1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 59388980
6-bromo-2-methyl-3a,7a-dihydro-1H-indole
CID 112713949
2-bromo-4a,9a-dihydroanthracene-9,10-dione
CID 58831227
2-bromo-9a,10-dihydro-4aH-anthracen-9-one
CID 59348649
8-bromo-3-chloro-6-piperazin-1-yl-10a,11-dihydro-6aH-benzo[b][1,4]benzodiazepine
CID 70890801
5-bromo-1,3,3a,7a-tetrahydroinden-2-one
CID 58169778
(6R)-4-bromo-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
CID 167136179
6-bromo-1,1,4,4-tetramethyl-2,3,4a,8a-tetrahydronaphthalene
CID 142949508
6-bromo-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 163455865
3-chloro-1,6-dihydropyridazin-6-olate
CID 102355706
6-bromo-3-(1-methylpiperidin-4-yl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 143183418
2,7-dibromo-9,9-dioctyl-4a,9a-dihydrofluorene
CID 172546280

Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-3,5-dibromo-3a,7a-dihydro-1H-indazole?
The IUPAC name of (3aR,7aR)-3,5-dibromo-3a,7a-dihydro-1H-indazole (CID 99973090) is (3aR,7aR)-3,5-dibromo-3a,7a-dihydro-1H-indazole.
What is the SMILES notation for (3aR,7aR)-3,5-dibromo-3a,7a-dihydro-1H-indazole?
The canonical SMILES for (3aR,7aR)-3,5-dibromo-3a,7a-dihydro-1H-indazole is BrC1=C[C@H]2C(Br)=NN[C@@H]2C=C1.
What is the InChIKey of (3aR,7aR)-3,5-dibromo-3a,7a-dihydro-1H-indazole?
The InChIKey is KVJQPTLKDVGGHZ-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H6Br2N2/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3,5-6,10H/t5-,6-/m1/s1.
What are the key properties of (3aR,7aR)-3,5-dibromo-3a,7a-dihydro-1H-indazole?
(3aR,7aR)-3,5-dibromo-3a,7a-dihydro-1H-indazole has a molecular weight of 277.95 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-3,5-dibromo-3a,7a-dihydro-1H-indazole is sourced from PubChem (CID 99973090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).