6-bromo-4-methoxy-2,3-dimethyl-3,3a-dihydroindazole

C10H13BrN2O — CID 139324974

IUPAC6-bromo-4-methoxy-2,3-dimethyl-3,3a-dihydroindazole
SMILESCOC1=CC(Br)=CC2=NN(C)C(C)C12
InChIInChI=1S/C10H13BrN2O/c1-6-10-8(12-13(6)2)4-7(11)5-9(10)14-3/h4-6,10H,1-3H3
InChIKeyQRFWJAFHQWWMLV-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.12
Rot. Bonds1

About 6-bromo-4-methoxy-2,3-dimethyl-3,3a-dihydroindazole

6-bromo-4-methoxy-2,3-dimethyl-3,3a-dihydroindazole (PubChem CID 139324974) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 6-bromo-4-methoxy-2,3-dimethyl-3,3a-dihydroindazole.

Molecular Properties

Compound Name6-bromo-4-methoxy-2,3-dimethyl-3,3a-dihydroindazole
PubChem CID139324974
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name6-bromo-4-methoxy-2,3-dimethyl-3,3a-dihydroindazole
SMILESCOC1=CC(Br)=CC2=NN(C)C(C)C12
InChIInChI=1S/C10H13BrN2O/c1-6-10-8(12-13(6)2)4-7(11)5-9(10)14-3/h4-6,10H,1-3H3
InChIKeyQRFWJAFHQWWMLV-UHFFFAOYSA-N
XLogP2.12
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-4-methoxy-2,3a-dihydroindazol-3-one
CID 74316003
5-bromo-2-fluoro-3-methoxy-2H-pyridin-1-amine
CID 175887703
(2S)-3-methoxy-2-methyl-1,2-dihydropyrrol-5-one
CID 10909584
5-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydropyrazole
CID 84712363
(4R,5S)-3-methoxy-4-methyl-5-phenylcyclopent-2-en-1-one
CID 14068206
(2S)-1-(5-bromo-3-methoxy-2-pyridinyl)-2,4-dimethylpiperazine
CID 118555167
1-[(3R,3aS)-3-(4-bromophenyl)-7-methoxy-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanone
CID 7118043
(1R,3R)-1-(4-bromo-2-methoxycyclohexa-2,4-dien-1-yl)-2-(2,2-difluoro-3-methoxypropyl)-3,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-amine
CID 146518467
(1S,2R)-3-bromo-6-methoxycyclohexa-3,5-diene-1,2-diol
CID 134895716
3-methoxy-4-methylcyclopent-2-en-1-one
CID 574103
(4R)-1-(4-bromophenyl)-7,8-dimethoxy-3,4-dimethyl-4,5-dihydro-2,3-benzodiazepine
CID 118310736
4-(3-bromo-5-methoxy-2-pyridinyl)-1-methylpiperazin-2-one
CID 167770733

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methoxy-2,3-dimethyl-3,3a-dihydroindazole?
The IUPAC name of 6-bromo-4-methoxy-2,3-dimethyl-3,3a-dihydroindazole (CID 139324974) is 6-bromo-4-methoxy-2,3-dimethyl-3,3a-dihydroindazole.
What is the SMILES notation for 6-bromo-4-methoxy-2,3-dimethyl-3,3a-dihydroindazole?
The canonical SMILES for 6-bromo-4-methoxy-2,3-dimethyl-3,3a-dihydroindazole is COC1=CC(Br)=CC2=NN(C)C(C)C12.
What is the InChIKey of 6-bromo-4-methoxy-2,3-dimethyl-3,3a-dihydroindazole?
The InChIKey is QRFWJAFHQWWMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-6-10-8(12-13(6)2)4-7(11)5-9(10)14-3/h4-6,10H,1-3H3.
What are the key properties of 6-bromo-4-methoxy-2,3-dimethyl-3,3a-dihydroindazole?
6-bromo-4-methoxy-2,3-dimethyl-3,3a-dihydroindazole has a molecular weight of 257.13 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methoxy-2,3-dimethyl-3,3a-dihydroindazole is sourced from PubChem (CID 139324974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).